Molecule

Archazolid A

AlkaPlorer ID: AK318421

Synonym: None

IUPAC Name: [(1S)-1-[4-[(2S,3S,4E,6E,8S,9S,10R,11E,13Z,15Z,17S,18S,19E,22E)-10,18-dihydroxy-8-methoxy-3,7,9,13,15,17,20,23-octamethyl-24-oxo-1-oxacyclotetracosa-4,6,11,13,15,19,22-heptaen-2-yl]-1,3-thiazol-2-yl]-3-methylbutyl] N-methylcarbamate

Structure

SMILES: CN=C(O)O[C@@H](CC(C)C)C1=NC([C@H]2OC(=O)/C(C)=C/C/C(C)=C/[C@@H](O)[C@@H](C)/C=C(C)\C=C(C)/C=C/[C@@H](O)[C@H](C)[C@H](OC)/C(C)=C/C=C/[C@@H]2C)=CS1

InChI: InChI=1S/C42H62N2O7S/c1-25(2)20-37(50-42(48)43-11)40-44-34(24-52-40)39-30(7)15-13-14-29(6)38(49-12)33(10)35(45)19-17-26(3)21-28(5)22-32(9)36(46)23-27(4)16-18-31(8)41(47)51-39/h13-15,17-19,21-25,30,32-33,35-39,45-46H,16,20H2,1-12H3,(H,43,48)/b15-13+,19-17+,26-21-,27-23+,28-22-,29-14+,31-18+/t30-,32-,33-,35+,36+,37-,38+,39-/m0/s1

InChIKey: CUYVVUGLFUIZAZ-YYRKZZGWSA-N

Reference

Archazolid‐7‐<i>O</i>‐β‐<scp>D</scp>‐glucopyranoside – Isolation, Structural Elucidation and Solution Conformation of a Novel V‐ATPase Inhibitor from the Myxobacterium <i>Cystobacter violaceus</i>

PubChem CID: 16680454

LOTUS: LTS0008014

SuperNatural Ⅲ: SN0056316-10

NPASS: NPC119481

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Archangium gephyra	Archangium	Archangiaceae	Myxococcales	Myxococcia	Myxococcota	None	Bacteria
Archangium violaceum	Archangium	Archangiaceae	Myxococcales	Myxococcia	Myxococcota	None	Bacteria

Properties Information

Molecule Weight: 739.0320000000002

TPSA？: 130.70000000000002

MolLogP？: 9.267700000000003

Number of H-Donors: 3

Number of H-Acceptors: 9

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Adenosine A1 receptor	Inhibition	nan	%	10.1021/acs.jmedchem.9b01887
Homo sapiens	Adenosine A2a receptor	Inhibition	nan	%	10.1021/acs.jmedchem.9b01887
Homo sapiens	Adenosine A2b receptor	Inhibition	nan	%	10.1021/acs.jmedchem.9b01887
Homo sapiens	Adenosine A3 receptor	Ki	967.0	nM	10.1021/acs.jmedchem.9b01887
Homo sapiens	Bile acid receptor FXR	EC50	200.0	nM	10.1016/j.bmc.2016.05.020
Homo sapiens	Cathepsin B	Inhibition	nan	%	10.1021/acs.jmedchem.9b01887
Homo sapiens	Cathepsin L	Inhibition	nan	%	10.1021/acs.jmedchem.9b01887
Homo sapiens	Chymotrypsin	Inhibition	nan	%	10.1021/acs.jmedchem.9b01887
Homo sapiens	Leukocyte elastase	IC50	352.0	nM	10.1021/acs.jmedchem.9b01887
Homo sapiens	P2X purinoceptor 1	Inhibition	nan	%	10.1021/acs.jmedchem.9b01887
Homo sapiens	P2X purinoceptor 2	Inhibition	nan	%	10.1021/acs.jmedchem.9b01887
Homo sapiens	P2X purinoceptor 3	IC50	86.1	nM	10.1021/acs.jmedchem.9b01887
Homo sapiens	P2X purinoceptor 3	Inhibition	nan	%	10.1021/acs.jmedchem.9b01887
Homo sapiens	P2X purinoceptor 4	Inhibition	nan	%	10.1021/acs.jmedchem.9b01887
Homo sapiens	P2X purinoceptor 7	Inhibition	nan	%	10.1021/acs.jmedchem.9b01887
Homo sapiens	Peroxisome proliferator-activated receptor gamma	Inhibition	82.0	%	10.1021/acs.jmedchem.9b01887
Homo sapiens	Purinergic receptor P2Y1	Inhibition	nan	%	10.1021/acs.jmedchem.9b01887
Homo sapiens	Purinergic receptor P2Y11	Inhibition	nan	%	10.1021/acs.jmedchem.9b01887
Homo sapiens	Purinergic receptor P2Y12	Inhibition	nan	%	10.1021/acs.jmedchem.9b01887
Homo sapiens	Purinergic receptor P2Y14	Inhibition	nan	%	10.1021/acs.jmedchem.9b01887
Homo sapiens	Purinergic receptor P2Y2	Inhibition	nan	%	10.1021/acs.jmedchem.9b01887
Homo sapiens	Pyrimidinergic receptor P2Y4	Inhibition	nan	%	10.1021/acs.jmedchem.9b01887
Homo sapiens	Pyrimidinergic receptor P2Y6	Inhibition	nan	%	10.1021/acs.jmedchem.9b01887
Homo sapiens	Trypsin	Inhibition	nan	%	10.1021/acs.jmedchem.9b01887
Homo sapiens	Uracil nucleotide/cysteinyl leukotriene receptor	Inhibition	nan	%	10.1021/acs.jmedchem.9b01887
Manduca sexta	V-type proton ATPase subunit B	IC50	0.6	nmol/mg	10.1021/np200036v
Manduca sexta	V-type proton ATPase subunit C	Activity	nan	None	10.1016/j.bmcl.2012.09.081
Mus musculus	L929	GI50	0.81	nM	10.1021/np200036v
Mus musculus	L929	IC50	0.81	nM	10.1016/j.bmcl.2006.12.073
None	No relevant target	solubility	nan	None	10.1016/j.bmcl.2012.09.081
None	Unchecked	IC50	0.253	nM	10.1021/acs.jmedchem.9b01887
None	Unchecked	IC50	0.6	nM	10.1016/j.bmcl.2006.12.073
None	Unchecked	IC50	6.33	nM	10.1021/acs.jmedchem.9b01887
None	Unchecked	Inhibition	52.0	%	10.1021/acs.jmedchem.9b01887
None	Unchecked	Ratio IC50	25.0	None	10.1021/acs.jmedchem.9b01887