N-(2-cyano-9-oxo-9H-indeno[1,2-b]pyrazin-3-yl)cyanamide

ID: ALA5277194

Chembl Id: CHEMBL5277194

Max Phase: Preclinical

Molecular Formula: C13H5N5O

Molecular Weight: 247.22

Associated Items:

Names and Identifiers

Canonical SMILES:  N#CNc1nc2c(nc1C#N)C(=O)c1ccccc1-2

Standard InChI:  InChI=1S/C13H5N5O/c14-5-9-13(16-6-15)18-10-7-3-1-2-4-8(7)12(19)11(10)17-9/h1-4H,(H,16,18)

Standard InChI Key:  RAWDFXAXTMRTEP-UHFFFAOYSA-N

Alternative Forms

  1. Parent:

    ALA5277194

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Associated Targets(Human)

USP7 Tchem Ubiquitin carboxyl-terminal hydrolase 7 (837 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
USP47 Tchem Ubiquitin carboxyl-terminal hydrolase 47 (99 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
USP8 Tchem Ubiquitin carboxyl-terminal hydrolase 8 (245 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: 247.22Molecular Weight (Monoisotopic): 247.0494AlogP: 1.45#Rotatable Bonds: 1
Polar Surface Area: 102.46Molecular Species: NEUTRALHBA: 6HBD: 1
#RO5 Violations: HBA (Lipinski): 6HBD (Lipinski): 1#RO5 Violations (Lipinski):
CX Acidic pKa: 11.05CX Basic pKa: CX LogP: 1.73CX LogD: 1.73
Aromatic Rings: 2Heavy Atoms: 19QED Weighted: 0.52Np Likeness Score: -0.65

References

1. Li P, Liu HM..  (2020)  Recent advances in the development of ubiquitin-specific-processing protease 7 (USP7) inhibitors.,  191  [PMID:32092586] [10.1016/j.ejmech.2020.112107]

Source