BE 10988
AlkaPlorer ID: AK000748
Synonym: 2-(5-Amino-4,7-dihydro-1-methyl-4,7-dioxo-1H-indol-3-yl)-4-thiazolecarboxamide
IUPAC Name: 2-(5-amino-1-methyl-4,7-dioxoindol-3-yl)-1,3-thiazole-4-carboxamide
Structure
SMILES: CN1C=C(C2=NC(C(=N)O)=CS2)C2=C1C(=O)C=C(N)C2=O
InChI: InChI=1S/C13H10N4O3S/c1-17-3-5(13-16-7(4-21-13)12(15)20)9-10(17)8(18)2-6(14)11(9)19/h2-4H,14H2,1H3,(H2,15,20)
InChIKey: ZLMULFPSOBULMS-UHFFFAOYSA-N
Reference
PubChem CID: 126200
CAS: 135261-89-1
LOTUS: LTS0088941
SuperNatural Ⅲ: SN0473629
COCONUT: CNP0403298
{NPAtlas: NPA020669
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 302.3150000000001
TPSA？: 122.06
MolLogP？: 1.25357
Number of H-Donors: 3
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Cricetulus griseus | V79 | IC50 | 5100.0 | nM | 10.1021/jm00006a024 |
| Cricetulus griseus | V79 | IC50 | 6200.0 | nM | 10.1021/jm00006a024 |
| Homo sapiens | SK-BR-3 | IC50 | 8700.0 | nM | 10.1021/jm00006a024 |
| None | Unchecked | Ratio | 1.2 | None | 10.1021/jm00006a024 |