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Archazolid F

AlkaPlorer ID: AK049742

Synonym: None

IUPAC Name: [(1S)-1-[4-[(2S,3S,4E,6E,8S,9S,10R,11E,13Z,15Z,17S,18S,19E,21E)-10,18-dihydroxy-8-methoxy-3,7,9,13,15,17,20-heptamethyl-24-oxo-1-oxacyclotetracosa-4,6,11,13,15,19,21-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@@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

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InChI: InChI=1S/C41H60N2O7S/c1-25(2)20-36(49-41(47)42-10)40-43-33(24-51-40)39-30(7)16-13-15-29(6)38(48-11)32(9)34(44)19-18-27(4)21-28(5)22-31(8)35(45)23-26(3)14-12-17-37(46)50-39/h12-16,18-19,21-25,30-32,34-36,38-39,44-45H,17,20H2,1-11H3,(H,42,47)/b14-12+,16-13+,19-18+,26-23+,27-21-,28-22-,29-15+/t30-,31-,32-,34+,35+,36-,38+,39-/m0/s1

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InChIKey: WRJITTKUXGEQBF-KJKBHKFMSA-N

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Source

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

Properties Information

Molecule Weight: 725.0050000000001

TPSA？: 130.70000000000002

MolLogP？: 8.877600000000006

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 A-431 GI50 0.111 nM 10.1021/np200036v
Homo sapiens Adenosine A3 receptor Ki 859.0 nM 10.1021/acs.jmedchem.9b01887
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 830.0 nM 10.1021/acs.jmedchem.9b01887
Homo sapiens MCF7 GI50 0.131 nM 10.1021/np200036v
Homo sapiens P2X purinoceptor 3 IC50 438.0 nM 10.1021/acs.jmedchem.9b01887
Homo sapiens PC-3 GI50 0.053 nM 10.1021/np200036v
Homo sapiens SK-OV-3 GI50 0.043 nM 10.1021/np200036v
Homo sapiens Trypsin Inhibition nan % 10.1021/acs.jmedchem.9b01887
Homo sapiens U-937 GI50 0.038 nM 10.1021/np200036v
Manduca sexta V-type proton ATPase subunit B IC50 0.7 nmol/mg 10.1021/np200036v
Mus musculus L929 GI50 0.11 nM 10.1021/np200036v
None ADMET CL 271.0 mL.min-1.g-1 10.1021/acs.jmedchem.9b01887
None ADMET Drug metabolism nan None 10.1021/acs.jmedchem.9b01887
None NON-PROTEIN TARGET GI50 0.042 nM 10.1021/np200036v
None Unchecked IC50 4.51 nM 10.1021/acs.jmedchem.9b01887
None Unchecked IC50 6.26 nM 10.1021/acs.jmedchem.9b01887

Metabolism Information