Molecule

Pyridine

AlkaPlorer ID: AK066063

Synonym: None

IUPAC Name: pyridine

Structure

SMILES: C1=CC=NC=C1

InChI: InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H

InChIKey: JUJWROOIHBZHMG-UHFFFAOYSA-N

Reference

Characterization of some volatile constituents of dry red beans

PubChem CID: 1049

CAS: 110-86-1

LOTUS: LTS0108275

SuperNatural Ⅲ: SN0175542

COCONUT: CNP0160377

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Garcinia mangostana	Garcinia	Clusiaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 79.10199999999998

TPSA？: 12.89

MolLogP？: 1.0816

Number of H-Donors: 0

Number of H-Acceptors: 1

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Bacillus anthracis	Anthrax lethal factor	Potency	1258.9	nM	None
Enterobacteria phage T4	Lysozyme	Delta Tm	-0.3	degrees C	10.1021/jm301823g
Enterobacteria phage T4	Lysozyme	Delta Tm	0.1	degrees C	10.1021/jm301823g
Homo sapiens	Cytochrome P450 3A4	Delta Tm	0.0	degrees C	10.1021/acs.jmedchem.5b01146
Homo sapiens	Cytochrome P450 3A4	IC50	4000000.0	nM	10.1021/acs.jmedchem.5b01146
Homo sapiens	Cytochrome P450 3A4	K	0.5	/s	10.1021/acs.jmedchem.5b01146
Homo sapiens	Cytochrome P450 3A4	Kd	4500000.0	nM	10.1021/acs.jmedchem.5b01146
Homo sapiens	Nicotinate phosphoribosyltransferase	Ki	0.78	nM	None
Homo sapiens	Thromboxane-A synthase	Inhibition	71.2	%	10.1021/jm00142a006
Homo sapiens	Thyroid stimulating hormone receptor	Potency	15848.9	nM	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	7943.3	nM	None
Lithobates pipiens	Lithobates pipiens	Log MBC	1.77	None	10.1021/jm00109a021
Rattus norvegicus	Neuronal acetylcholine receptor	Enhancement	16.0	%	10.1021/jm00147a021
Rattus norvegicus	Neuronal acetylcholine receptor	Inhibition	154.0	%	10.1021/jm00147a021
Rattus norvegicus	Neuronal acetylcholine receptor	Kd	3300000.0	nM	10.1021/jm00147a021
Rattus norvegicus	Neuronal acetylcholine receptor	Kd	86000000.0	nM	10.1021/jm00147a021
Rattus norvegicus	Neuronal acetylcholine receptor	Kd	nan	nM	10.1021/jm00147a021
Rattus norvegicus	Rattus norvegicus	ALB	40700.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALB	41800.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALB	42200.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALB	44300.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALP	343.83	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALP	354.33	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALP	388.6	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALP	403.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALT	45.5	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALT	47.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALT	56.83	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALT	61.4	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	AST	70.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	AST	77.33	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	AST	77.6	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	AST	93.33	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BASO	0.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BASOLE	0.0	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BILI	1.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BILI	1.8	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BILI	2.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BUN	110.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BUN	130.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BUN	166.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BUN	178.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHLORIDE	97.0	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHLORIDE	100.33	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHLORIDE	100.6	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHLORIDE	102.17	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHOL	623.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHOL	766.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHOL	783.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHOL	820.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CO2	27200000.0	nM	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CO2	27830000.0	nM	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CO2	32000000.0	nM	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CO2	33000000.0	nM	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CREAT	1.2	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CREAT	1.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CREAT	1.9	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CREAT	2.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	EOS	0.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	EOS	91.83	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	EOS	117.17	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	EOS	220.4	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	EOSLE	0.0	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	EOSLE	0.5	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	EOSLE	0.67	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	EOSLE	1.4	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	GLUC	1353.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	GLUC	1370.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	GLUC	1486.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	GLUC	1618.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HCT	31.77	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HCT	35.13	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HCT	35.72	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HCT	37.58	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HGB	118000.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HGB	130000.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HGB	132800.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HGB	138000.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LDH	89.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LDH	116.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LDH	180.8	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LDH	407.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LIPASE	8.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LIPASE	8.33	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LIPASE	10.6	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LIPASE	10.83	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYM	8928.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYM	11703.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYM	12774.17	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYM	13862.33	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYMLE	83.0	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYMLE	84.6	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYMLE	88.33	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYMLE	90.67	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCH	20.87	pg	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCH	21.58	pg	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCH	23.07	pg	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCH	23.33	pg	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCHC	367200.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCHC	370300.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCHC	371700.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCHC	372000.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCV	56.85	fL	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCV	58.02	fL	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCV	62.15	fL	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCV	63.0	fL	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONO	220.67	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONO	312.6	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONO	419.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONO	437.83	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONOLE	2.2	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONOLE	2.33	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONOLE	2.67	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTLE	7.0	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTLE	8.5	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTLE	11.8	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTLE	13.67	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTSG	684.67	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTSG	1358.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTSG	1764.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTSG	2139.67	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PHOS	114.5	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PHOS	121.8	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PHOS	125.8	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PHOS	127.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PLAT	1084670.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PLAT	1097800.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PLAT	1108330.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PLAT	1113830.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	POTASSIUM	6.33	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	POTASSIUM	6.51	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	POTASSIUM	6.66	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	POTASSIUM	6.72	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PROT	57700.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PROT	61600.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PROT	63000.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PROT	63300.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	RBC	5120000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	RBC	5580000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	RBC	6160000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	RBC	6610000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	RBCNUC	0.0	/100WBC	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	SODIUM	141.63	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	SODIUM	142.88	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	SODIUM	145.57	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	SODIUM	146.2	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	URATE	11.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	URATE	12.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	URATE	13.6	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	URATE	19.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	WBC	9830.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	WBC	14000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	WBC	15450.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	WBC	15750.0	cells.uL-1	10.6019/CHEMBL3885881
None	ADMET	EC50	3899419866765.44	nM	10.1021/jm00109a021
None	ADMET	Log K-1	-1.7	None	10.1021/jm9704311
None	ADMET	Log K1	-0.83	None	10.1021/jm9704311
None	ADMET	log Pe	-4.35	None	10.1021/jm0611105
None	Heme	Activity	2.24	None	10.1021/jm8012618
None	Heme	log Ks	0.18	None	10.1021/jm8012757
None	Heme	log Ks	2.24	None	10.1021/jm8012757
None	Heme	log Ks	2.5	None	10.1021/jm8012757
None	Heme	log Ks	2.54	None	10.1021/jm8012757
None	No relevant target	LogD	-0.48	None	10.1021/jm701549s
None	No relevant target	LogD	0.57	None	10.1021/jm9704311
None	No relevant target	LogD	0.64	None	10.1021/jm701549s
None	No relevant target	LogD	0.65	None	10.1016/j.bmc.2012.01.014
None	No relevant target	LogP	-0.42	None	10.1021/jm701549s
None	No relevant target	LogP	-0.41	None	10.1021/jm701549s
None	No relevant target	LogP	-0.21	None	10.1021/jm00390a002
None	No relevant target	LogP	0.08	None	10.1021/jm00390a002
None	No relevant target	LogP	0.23	None	10.1021/jm00390a002
None	No relevant target	LogP	0.41	None	10.1021/jm00390a002
None	No relevant target	LogP	0.62	None	10.1021/jm00381a013
None	No relevant target	LogP	0.65	None	10.1021/jm00209a011
None	No relevant target	LogP	0.65	None	10.1021/jm00227a008
None	No relevant target	LogP	0.65	None	10.1021/jm00390a002
None	No relevant target	LogP	0.65	None	10.1021/jm0611105
None	No relevant target	LogP	0.66	None	10.1016/0960-894X(95)00226-J
None	No relevant target	LogP	0.66	None	10.1021/jm00227a008
None	No relevant target	LogP	1.43	None	10.1021/jm00390a002
None	No relevant target	Log PNalk	-0.31	None	10.1021/jm048980b
None	No relevant target	Log S	0.76	None	10.1016/s0960-894x(00)00172-4
None	No relevant target	pKa	5.17	None	10.1021/jm00226a007
None	No relevant target	pKa	5.17	None	10.1021/jm800219f
None	No relevant target	pKa	5.2	None	10.1016/j.bmcl.2016.08.030
None	No relevant target	pKa	5.2	None	10.1021/acs.jmedchem.6b01807
None	No relevant target	pKa	5.2	None	10.1021/jm300343m
None	No relevant target	pKa	5.2	None	10.1039/C9MD00305C
None	No relevant target	pKa	5.23	None	10.1021/jm300260v
None	No relevant target	pKa	5.25	None	10.1016/0960-894X(95)00226-J

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT014769	C[SAH].c1ccncc1>>C[n+]1ccccc1	PYRIDINE-N-METHYLTRANSFERASE-RXN
AKRT015410	Cc1ncc(C[n+]2csc(CCO)c2C)c(=N)[nH]1.c1ccncc1>>Cc1ncc(C[n+]2ccccc2)c(=N)[nH]1	enzymemap_40246
AKRT015431	Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1.c1ccncc1>>Cc1ncc(C[n+]2ccccc2)c(N)n1	R02863
AKRT024864	O[n+]1ccccc1>>c1ccncc1	RXN-20076
AKRT024986	c1ccncc1>>O[n+]1ccccc1	25872