Molecule

Meridianin A

AlkaPlorer ID: AK001545

Synonym: Psammopemmin A

IUPAC Name: 3-(2-aminopyrimidin-4-yl)-1H-indol-4-ol

Structure

SMILES: N=C1N=C(C2=CNC3=C2C(O)=CC=C3)C=CN1

InChI: InChI=1S/C12H10N4O/c13-12-14-5-4-8(16-12)7-6-15-9-2-1-3-10(17)11(7)9/h1-6,15,17H,(H2,13,14,16)

InChIKey: SZOKTSDFOPVLFD-UHFFFAOYSA-N

Reference

Indole Alkaloids from the Tunicate Aplidium meridianum

PubChem CID: 10421236

CAS: 213472-98-1

LOTUS: LTS0003655

NPASS: NPC242209

COCONUT: CNP0287507

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Synoicum	Polyclinidae	Aplousobranchia	Ascidiacea	Chordata	Metazoa	Eukaryota
None	Aplidium	Polyclinidae	Aplousobranchia	Ascidiacea	Chordata	Metazoa	Eukaryota

Properties Information

Molecule Weight: 226.23900000000003

TPSA？: 88.55000000000001

MolLogP？: 1.74307

Number of H-Donors: 4

Number of H-Acceptors: 3

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	3-phosphoinositide dependent protein kinase-1	IC50	5400.0	nM	10.1016/j.bmcl.2016.05.005
Homo sapiens	A549	IC50	15000.0	nM	10.1016/j.bmc.2011.08.033
Homo sapiens	cAMP-dependent protein kinase (PKA)	IC50	11000.0	nM	10.1016/j.bmcl.2004.01.050
Homo sapiens	Casein kinase I	IC50	nan	nM	10.1016/j.bmcl.2004.01.050
Homo sapiens	CDK9/cyclin T1	IC50	2400.0	nM	10.1016/j.bmc.2011.08.033
Homo sapiens	Cyclin-dependent kinase 1	IC50	2500.0	nM	10.1016/j.bmc.2011.08.033
Homo sapiens	Cyclin-dependent kinase 1/cyclin B	IC50	2500.0	nM	10.1016/j.bmcl.2004.01.050
Homo sapiens	Cyclin-dependent kinase 2/cyclin A	IC50	3100.0	nM	10.1016/j.bmc.2011.08.033
Homo sapiens	Cyclin-dependent kinase 5	IC50	3500.0	nM	10.1016/j.bmc.2011.08.033
Homo sapiens	Cyclin-dependent kinase 5/CDK5 activator 1	IC50	3000.0	nM	10.1016/j.bmcl.2004.01.050
Homo sapiens	Dopamine D5 receptor	Ki	10000.0	nM	10.1016/j.bmc.2011.08.033
Homo sapiens	Dopamine transporter	Ki	2350.0	nM	10.1016/j.bmc.2011.08.033
Homo sapiens	Glycogen synthase kinase-3 beta	IC50	1300.0	nM	10.1016/j.bmc.2011.08.033
Homo sapiens	Glycogen synthase kinase-3 beta	IC50	1300.0	nM	10.1016/j.bmcl.2004.01.050
Homo sapiens	HEp-2	IC50	100000.0	nM	10.1016/j.bmc.2011.08.033
Homo sapiens	HEp-2	IC50	nan	nM	10.1016/j.bmcl.2004.01.050
Homo sapiens	HT-29	IC50	100000.0	nM	10.1016/j.bmc.2011.08.033
Homo sapiens	HT-29	IC50	nan	nM	10.1016/j.bmcl.2004.01.050
Homo sapiens	Muscarinic acetylcholine receptor M5	Ki	10000.0	nM	10.1016/j.bmc.2011.08.033
Homo sapiens	RD	IC50	nan	nM	10.1016/j.bmcl.2004.01.050
Homo sapiens	Serotonin 1a (5-HT1a) receptor	Ki	684.0	nM	10.1016/j.bmc.2011.08.033
Homo sapiens	Serotonin 1d (5-HT1d) receptor	Ki	10000.0	nM	10.1016/j.bmc.2011.08.033
Homo sapiens	Serotonin 2b (5-HT2b) receptor	Ki	150.0	nM	10.1016/j.bmc.2011.08.033
Homo sapiens	Serotonin 2c (5-HT2c) receptor	Ki	10000.0	nM	10.1016/j.bmc.2011.08.033
Homo sapiens	Serotonin 5a (5-HT5a) receptor	IC50	10000.0	nM	10.1016/j.bmc.2011.08.033
Homo sapiens	Serotonin 7 (5-HT7) receptor	IC50	10000.0	nM	10.1016/j.bmc.2011.08.033
Homo sapiens	SH-SY5Y	IC50	30000.0	nM	10.1016/j.bmc.2011.08.033
Homo sapiens	U-937	IC50	nan	nM	10.1016/j.bmcl.2004.01.050
Mus musculus	LMM3 cell line	IC50	nan	nM	10.1016/j.bmcl.2004.01.050
Plasmodium falciparum	Plasmodium falciparum	IC50	12000.0	nM	10.1016/j.bmc.2011.08.033
Plasmodium falciparum	Plasmodium falciparum	IC50	12000.0	nM	10.1016/j.ejmech.2015.05.020
None	ADMET	IC50	100000.0	nM	10.1016/j.bmc.2011.08.033
None	PTP	IC50	nan	nM	10.1016/j.bmcl.2004.01.050
None	Unchecked	IC50	1100.0	nM	10.1016/j.bmc.2011.08.033
None	Unchecked	IC50	11000.0	nM	10.1016/j.bmc.2011.08.033
None	Unchecked	IC50	200000.0	nM	10.1016/j.bmc.2011.08.033
None	Unchecked	IC50	200000.0	nM	10.1016/j.bmcl.2004.01.050