The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.
formylpyrrothine ID: ALA1163541
Chembl Id: CHEMBL1163541
PubChem CID: 46848162
Max Phase: Preclinical
Molecular Formula: C7H6N2O2S2
Molecular Weight: 214.27
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Synonyms: Formylpyrrothine | formylpyrrothine|CHEMBL1163541
Canonical SMILES: Cn1c2cssc-2c(NC=O)c1=O
Standard InChI: InChI=1S/C7H6N2O2S2/c1-9-4-2-12-13-6(4)5(7(9)11)8-3-10/h2-3H,1H3,(H,8,10)
Standard InChI Key: JSPVCJSCSHLERJ-UHFFFAOYSA-N
Associated Targets(non-human) Molecule Features Natural Product: YesOral: NoChemical Probe: NoParenteral: NoMolecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: NoChirality: NoAvailability: NoProdrug: No
Drug Indications MESH ID MESH Heading EFO IDs EFO Terms Max Phase for Indication References
Mechanisms of Action Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References
Calculated Properties Molecular Weight: 214.27Molecular Weight (Monoisotopic): 213.9871AlogP: 1.18#Rotatable Bonds: 2Polar Surface Area: 51.10Molecular Species: NEUTRALHBA: 5HBD: 1#RO5 Violations: ┄HBA (Lipinski): 4HBD (Lipinski): 1#RO5 Violations (Lipinski): ┄CX Acidic pKa: 12.65CX Basic pKa: ┄CX LogP: -0.58CX LogD: -0.58Aromatic Rings: ┄Heavy Atoms: 13QED Weighted: 0.60Np Likeness Score: 1.03
References 1. Merrouche R, Bouras N, Coppel Y, Mathieu F, Monje MC, Sabaou N, Lebrihi A.. (2010) Dithiolopyrrolone antibiotic formation induced by adding valeric acid to the culture broth of Saccharothrix algeriensis., 73 (6): [PMID:20507156 ] [10.1021/np900808u ]