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N-(3-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl)acetamide
ID: ALA4792948
Chembl Id: CHEMBL4792948
PubChem CID: 162671367
Max Phase: Preclinical
Molecular Formula: C15H13N3O2
Molecular Weight: 267.29
Molecule Type: Unknown
Associated Items:
Names and Identifiers
Canonical SMILES: CC(=O)Nc1nc2ccccn2c1-c1ccc(O)cc1
Standard InChI: InChI=1S/C15H13N3O2/c1-10(19)16-15-14(11-5-7-12(20)8-6-11)18-9-3-2-4-13(18)17-15/h2-9,20H,1H3,(H,16,19)
Standard InChI Key: WTGODXTULSTYNY-UHFFFAOYSA-N
Associated Targets(Human)
Molecule Features
Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
Molecule Type: Unknown | Topical: No | First In Class: No | Black Box: No |
Chirality: No | Availability: No | Prodrug: No |
Drug Indications
MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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Mechanisms of Action
Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Calculated Properties
Molecular Weight: 267.29 | Molecular Weight (Monoisotopic): 267.1008 | AlogP: 2.67 | #Rotatable Bonds: 2 |
Polar Surface Area: 66.63 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
#RO5 Violations: ┄ | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): ┄ |
CX Acidic pKa: 9.77 | CX Basic pKa: 2.77 | CX LogP: 1.86 | CX LogD: 1.85 |
Aromatic Rings: 3 | Heavy Atoms: 20 | QED Weighted: 0.75 | Np Likeness Score: -1.29 |
References
1. Engström O,Belda O,Kullman-Magnusson M,Rapp M,Böhm K,Paul R,Henderson I,Derbyshire D,Karlström S,Parkes KEB,Zhao H. (2020) Discovery of USP7 small-molecule allosteric inhibitors., 30 (20): [PMID:32781219] [10.1016/j.bmcl.2020.127471] |