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4-(2-amino-8-methylimidazo[1,2-a]pyridin-3-yl)phenol
ID: ALA4742897
Chembl Id: CHEMBL4742897
PubChem CID: 162645533
Max Phase: Preclinical
Molecular Formula: C14H13N3O
Molecular Weight: 239.28
Molecule Type: Unknown
Associated Items:
Names and Identifiers
Canonical SMILES: Cc1cccn2c(-c3ccc(O)cc3)c(N)nc12
Standard InChI: InChI=1S/C14H13N3O/c1-9-3-2-8-17-12(13(15)16-14(9)17)10-4-6-11(18)7-5-10/h2-8,18H,15H2,1H3
Standard InChI Key: BPUGMMFDXGULNQ-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: 239.28 | Molecular Weight (Monoisotopic): 239.1059 | AlogP: 2.60 | #Rotatable Bonds: 1 |
Polar Surface Area: 63.55 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
#RO5 Violations: ┄ | HBA (Lipinski): 4 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): ┄ |
CX Acidic pKa: 10.00 | CX Basic pKa: 6.43 | CX LogP: 2.30 | CX LogD: 2.26 |
Aromatic Rings: 3 | Heavy Atoms: 18 | QED Weighted: 0.69 | Np Likeness Score: -0.85 |
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] |