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(R)-4-isopropyl-2-(9H-pyrido[3,4-b]indol-1-yl)-4,5-dihydrooxazole ID: ALA5190875
Chembl Id: CHEMBL5190875
PubChem CID: 168283953
Max Phase: Preclinical
Molecular Formula: C17H17N3O
Molecular Weight: 279.34
Associated Items:
Names and Identifiers Canonical SMILES: CC(C)[C@@H]1COC(c2nccc3c2[nH]c2ccccc23)=N1
Standard InChI: InChI=1S/C17H17N3O/c1-10(2)14-9-21-17(20-14)16-15-12(7-8-18-16)11-5-3-4-6-13(11)19-15/h3-8,10,14,19H,9H2,1-2H3/t14-/m0/s1
Standard InChI Key: GRWVCTVEMNWZAC-AWEZNQCLSA-N
Associated Targets(non-human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Topical: 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: 279.34Molecular Weight (Monoisotopic): 279.1372AlogP: 3.52#Rotatable Bonds: 2Polar Surface Area: 50.27Molecular Species: NEUTRALHBA: 3HBD: 1#RO5 Violations: 0HBA (Lipinski): 4HBD (Lipinski): 1#RO5 Violations (Lipinski): 0CX Acidic pKa: 12.17CX Basic pKa: 4.43CX LogP: 3.40CX LogD: 3.40Aromatic Rings: 3Heavy Atoms: 21QED Weighted: 0.78Np Likeness Score: 0.60