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SID17387500 ID: ALA3212941
Chembl Id: CHEMBL3212941
PubChem CID: 6874408
Max Phase: Preclinical
Molecular Formula: C19H21ClFN3O2
Molecular Weight: 377.85
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: Cc1ccc(/C=N/NC(=O)C2CCN(Cc3ccc(F)cc3Cl)CC2)o1
Standard InChI: InChI=1S/C19H21ClFN3O2/c1-13-2-5-17(26-13)11-22-23-19(25)14-6-8-24(9-7-14)12-15-3-4-16(21)10-18(15)20/h2-5,10-11,14H,6-9,12H2,1H3,(H,23,25)/b22-11+
Standard InChI Key: ZDJNLONJNBZNOA-SSDVNMTOSA-N
Associated Targets(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: 377.85Molecular Weight (Monoisotopic): 377.1306AlogP: 3.74#Rotatable Bonds: 5Polar Surface Area: 57.84Molecular Species: NEUTRALHBA: 4HBD: 1#RO5 Violations: ┄HBA (Lipinski): 5HBD (Lipinski): 1#RO5 Violations (Lipinski): ┄CX Acidic pKa: 11.75CX Basic pKa: 7.23CX LogP: 3.33CX LogD: 3.10Aromatic Rings: 2Heavy Atoms: 26QED Weighted: 0.64Np Likeness Score: -2.42
References 1. PubChem BioAssay data set,
