5-Isopropyl-7-phenylindeno[1,2-b]indole-6,9,10(5H)-trione

ID: ALA5284545

Chembl Id: CHEMBL5284545

Max Phase: Preclinical

Molecular Formula: C24H17NO3

Molecular Weight: 367.40

Associated Items:

Names and Identifiers

Canonical SMILES:  CC(C)n1c2c(=O)c(-c3ccccc3)cc(=O)c2c2c(=O)c3ccccc3c21

Standard InChI:  InChI=1S/C24H17NO3/c1-13(2)25-21-15-10-6-7-11-16(15)23(27)20(21)19-18(26)12-17(24(28)22(19)25)14-8-4-3-5-9-14/h3-13H,1-2H3

Standard InChI Key:  UZVZYKXLYYJYSO-UHFFFAOYSA-N

Alternative Forms

  1. Parent:

    ALA5284545

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Associated Targets(Human)

CDC25A Tchem Dual specificity phosphatase Cdc25A (619 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CDC25C Tchem Dual specificity phosphatase Cdc25C (295 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: Topical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Calculated Properties

Molecular Weight: 367.40Molecular Weight (Monoisotopic): 367.1208AlogP: 4.15#Rotatable Bonds: 2
Polar Surface Area: 56.14Molecular Species: NEUTRALHBA: 4HBD:
#RO5 Violations: HBA (Lipinski): 4HBD (Lipinski): #RO5 Violations (Lipinski):
CX Acidic pKa: CX Basic pKa: CX LogP: 4.21CX LogD: 4.21
Aromatic Rings: 5Heavy Atoms: 28QED Weighted: 0.47Np Likeness Score: 0.01

References

1. Tao Y, Hao X, Ding X, Cherukupalli S, Song Y, Liu X, Zhan P..  (2020)  Medicinal chemistry insights into novel CDC25 inhibitors.,  201  [PMID:32603979] [10.1016/j.ejmech.2020.112374]

Source