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methyl 1-carbamoyl-9H-pyrido[3,4-b]indole-3-carboxylate ID: ALA5190002
Chembl Id: CHEMBL5190002
PubChem CID: 146382322
Max Phase: Preclinical
Molecular Formula: C14H11N3O3
Molecular Weight: 269.26
Associated Items:
Names and Identifiers Canonical SMILES: COC(=O)c1cc2c([nH]c3ccccc32)c(C(N)=O)n1
Standard InChI: InChI=1S/C14H11N3O3/c1-20-14(19)10-6-8-7-4-2-3-5-9(7)16-11(8)12(17-10)13(15)18/h2-6,16H,1H3,(H2,15,18)
Standard InChI Key: VWLWMDNSPZUJAS-UHFFFAOYSA-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: 269.26Molecular Weight (Monoisotopic): 269.0800AlogP: 1.60#Rotatable Bonds: 2Polar Surface Area: 98.07Molecular Species: NEUTRALHBA: 4HBD: 2#RO5 Violations: 0HBA (Lipinski): 6HBD (Lipinski): 3#RO5 Violations (Lipinski): 0CX Acidic pKa: 10.54CX Basic pKa: 0.47CX LogP: 1.30CX LogD: 1.30Aromatic Rings: 3Heavy Atoms: 20QED Weighted: 0.69Np Likeness Score: -0.11