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Manumycin A

AlkaPlorer ID: AK010686

Synonym: None

IUPAC Name: (2E,4E,6R)-N-[(1S,5S,6R)-5-hydroxy-5-[(1E,3E,5E)-7-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-7-oxohepta-1,3,5-trienyl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-2,4,6-trimethyldeca-2,4-dienamide

Structure

SMILES: CCCC[C@@H](C)/C=C(C)/C=C(\C)C(O)=NC1=C[C@@](O)(/C=C/C=C/C=C/C(O)=NC2=C(O)CCC2=O)[C@@H]2O[C@@H]2C1=O

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InChI: InChI=1S/C31H38N2O7/c1-5-6-11-19(2)16-20(3)17-21(4)30(38)32-22-18-31(39,29-28(40-29)27(22)37)15-10-8-7-9-12-25(36)33-26-23(34)13-14-24(26)35/h7-10,12,15-19,28-29,34,39H,5-6,11,13-14H2,1-4H3,(H,32,38)(H,33,36)/b8-7+,12-9+,15-10+,20-16+,21-17+/t19-,28-,29-,31+/m1/s1

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InChIKey: TWWQHCKLTXDWBD-MVTGTTCWSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 550.6520000000003

TPSA？: 152.31

MolLogP？: 5.384500000000004

Number of H-Donors: 4

Number of H-Acceptors: 7

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 8912.5 nM None
Bacillus subtilis Bacillus subtilis IZ 16.0 mm 10.1021/np030518r
Candida albicans Candida albicans IZ 16.0 mm 10.1021/np030518r
Chlorella sorokiniana Chlorella sorokiniana IZ 16.0 mm 10.1021/np030518r
Chlorella vulgaris Chlorella vulgaris IZ 16.0 mm 10.1021/np030518r
Desmodesmus subspicatus Desmodesmus subspicatus IZ 16.0 mm 10.1021/np030518r
Equus caballus Ferritin light chain Potency 31622.8 nM None
Escherichia coli Escherichia coli IZ 16.0 mm 10.1021/np030518r
Homo sapiens ATP-dependent DNA helicase Q1 Potency 35481.3 nM None
Homo sapiens Bloom syndrome protein Potency 25118.9 nM None
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 22387.2 nM None
Homo sapiens DNA polymerase kappa Potency 26679.5 nM None
Homo sapiens GTPase KRas IC50 3580.0 nM 10.1016/j.ejmech.2020.113006
Homo sapiens Histone acetyltransferase GCN5 Potency 39810.7 nM None
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 17782.8 nM None
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 25118.9 nM None
Homo sapiens Protein farnesyltransferase IC50 11900.0 nM 10.1016/s0960-894x(03)00183-5
Homo sapiens Thioredoxin reductase 1 FC 1.2 None 10.1021/acsmedchemlett.7b00489
Homo sapiens Thioredoxin reductase 1 FC 2.3 None 10.1021/acsmedchemlett.7b00489
Homo sapiens Vitamin D receptor Potency 2238.7 nM None
Mus musculus Nuclear receptor ROR-gamma Potency 446.7 nM None
Mus musculus Nuclear receptor ROR-gamma Potency 1258.9 nM None
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Activity nan None 10.1021/acsmedchemlett.7b00489
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic FC 10.0 None 10.1021/acsmedchemlett.7b00489
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic IC50 272.0 nM 10.1021/acsmedchemlett.7b00489
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic IC50 572.0 nM 10.1021/acsmedchemlett.7b00489
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic IC50 1586.0 nM 10.1021/acsmedchemlett.7b00489
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Inhibition nan % 10.1021/acsmedchemlett.7b00489
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic TDI nan None 10.1021/acsmedchemlett.7b00489
Rhizomucor miehei Rhizomucor miehei IZ 16.0 mm 10.1021/np030518r
Staphylococcus aureus Staphylococcus aureus IZ 16.0 mm 10.1021/np030518r
Streptomyces viridochromogenes Streptomyces viridochromogenes IZ 16.0 mm 10.1021/np030518r
None No relevant target Drug metabolism nan None 10.1021/acsmedchemlett.7b00489
None Unchecked IC50 30.0 nM 10.1021/acs.jmedchem.1c00410
None Unchecked Potency 5623.4 nM None
None Unchecked Potency 15848.9 nM None

Metabolism Information