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Usabamycin B

AlkaPlorer ID: AK043306

Synonym: None

IUPAC Name: (6aS,8E)-8-ethylidene-4-methoxy-6,6a,7,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-one

Structure

SMILES: C/C=C1\C[C@H]2CNC3=C(C=CC=C3OC)C(=O)N2C1

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InChI: InChI=1S/C15H18N2O2/c1-3-10-7-11-8-16-14-12(15(18)17(11)9-10)5-4-6-13(14)19-2/h3-6,11,16H,7-9H2,1-2H3/b10-3+/t11-/m0/s1

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InChIKey: YZASJELCRXLHII-LFJXOHPOSA-N

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Properties Information

Molecule Weight: 258.321

TPSA？: 41.57

MolLogP？: 2.2815000000000003

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Aspergillus fumigatus Aspergillus fumigatus GI nan None 10.1016/j.bmcl.2014.02.022
Bacillus subtilis Bacillus subtilis GI nan None 10.1016/j.bmcl.2014.02.022
Candida albicans Candida albicans GI nan None 10.1016/j.bmcl.2014.02.022
Escherichia coli Escherichia coli GI nan None 10.1016/j.bmcl.2014.02.022
Homo sapiens HeLa IC50 103500.0 nM 10.1016/j.bmcl.2011.09.086
Homo sapiens HepG2 IC50 10600.0 nM 10.1016/j.bmcl.2014.02.022
Homo sapiens HL-60 IC50 13500.0 nM 10.1016/j.bmcl.2014.02.022
Homo sapiens Jurkat IC50 6260.0 nM 10.1016/j.bmcl.2014.02.022
Homo sapiens K562 IC50 10100.0 nM 10.1016/j.bmcl.2014.02.022
Homo sapiens Serotonin 1a (5-HT1a) receptor Inhibition nan % 10.1016/j.bmcl.2011.09.086
Homo sapiens Serotonin 2b (5-HT2b) receptor IC50 8450.0 nM 10.1016/j.bmcl.2011.09.086
Homo sapiens Serotonin 2b (5-HT2b) receptor Ki 5380.0 nM 10.1016/j.bmcl.2011.09.086
Homo sapiens Serotonin 3a (5-HT3a) receptor Inhibition nan % 10.1016/j.bmcl.2011.09.086
Salinivibrio costicola Salinivibrio costicola GI nan None 10.1016/j.bmcl.2014.02.022
Staphylococcus aureus Staphylococcus aureus GI nan None 10.1016/j.bmcl.2014.02.022

Metabolism Information