SID103913572

ID: ALA1888305

Chembl Id: CHEMBL1888305

Cas Number: 1361526-43-3

PubChem CID: 56593029

Max Phase: Preclinical

Molecular Formula: C19H18N4O

Molecular Weight: 318.38

Molecule Type: Small molecule

Associated Items:

Names and Identifiers

Canonical SMILES:  O=C(N1CCCC1)n1ncc(-c2ccc(-c3ccccc3)cc2)n1

Standard InChI:  InChI=1S/C19H18N4O/c24-19(22-12-4-5-13-22)23-20-14-18(21-23)17-10-8-16(9-11-17)15-6-2-1-3-7-15/h1-3,6-11,14H,4-5,12-13H2

Standard InChI Key:  UKVJRODNCZDEBC-UHFFFAOYSA-N

Associated Targets(non-human)

Pafah2 Platelet-activating factor acetylhydrolase 2, cytoplasmic (7 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: Small moleculeTopical: 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: 318.38Molecular Weight (Monoisotopic): 318.1481AlogP: 3.68#Rotatable Bonds: 2
Polar Surface Area: 51.02Molecular Species: NEUTRALHBA: 4HBD:
#RO5 Violations: HBA (Lipinski): 5HBD (Lipinski): #RO5 Violations (Lipinski):
CX Acidic pKa: CX Basic pKa: CX LogP: 3.02CX LogD: 3.02
Aromatic Rings: 3Heavy Atoms: 24QED Weighted: 0.72Np Likeness Score: -0.87

References

1. PubChem BioAssay data set, 

Source

Source(1):