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1-Hydroxy-3,4-bis-(1H-indol-3-yl)-pyrrole-2,5-dione ID: ALA291546
Chembl Id: CHEMBL291546
Cas Number: 137108-08-8
PubChem CID: 5327653
Max Phase: Preclinical
Molecular Formula: C20H13N3O3
Molecular Weight: 343.34
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: O=C1C(c2c[nH]c3ccccc23)=C(c2c[nH]c3ccccc23)C(=O)N1O
Standard InChI: InChI=1S/C20H13N3O3/c24-19-17(13-9-21-15-7-3-1-5-11(13)15)18(20(25)23(19)26)14-10-22-16-8-4-2-6-12(14)16/h1-10,21-22,26H
Standard InChI Key: STOYHVQKKWVYFE-UHFFFAOYSA-N
Associated Targets(non-human) Molecule Features Natural Product: NoOral: 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: 343.34Molecular Weight (Monoisotopic): 343.0957AlogP: 3.32#Rotatable Bonds: 2Polar Surface Area: 89.19Molecular Species: NEUTRALHBA: 3HBD: 3#RO5 Violations: ┄HBA (Lipinski): 6HBD (Lipinski): 3#RO5 Violations (Lipinski): ┄CX Acidic pKa: 7.32CX Basic pKa: ┄CX LogP: 2.89CX LogD: 2.56Aromatic Rings: 4Heavy Atoms: 26QED Weighted: 0.39Np Likeness Score: 0.29
References 1. Davis PD, Hill CH, Lawton G, Nixon JS, Wilkinson SE, Hurst SA, Keech E, Turner SE.. (1992) Inhibitors of protein kinase C. 1. 2,3-Bisarylmaleimides., 35 (1): [PMID:1732526 ] [10.1021/jm00079a024 ] 2. Wilke KE, Fihn CA, Carlson EE.. (2018) Screening serine/threonine and tyrosine kinase inhibitors for histidine kinase inhibition., 26 (19): [PMID:29706527 ] [10.1016/j.bmc.2018.04.047 ]