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3-[[(10S)-7-[(2S,4R)-4-amino-2-phenyl-piperidine-1-carbonyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenyl-pyrimidin-4-one ID: ALA5084421
Chembl Id: CHEMBL5084421
PubChem CID: 146627534
Max Phase: Preclinical
Molecular Formula: C32H39N5O3
Molecular Weight: 541.70
Molecule Type: Unknown
Associated Items:
Names and Identifiers Canonical SMILES: N[C@@H]1CCN(C(=O)N2CC[C@@](O)(Cn3cnc(-c4ccccc4)cc3=O)C3(CCCC3)C2)[C@H](c2ccccc2)C1
Standard InChI: InChI=1S/C32H39N5O3/c33-26-13-17-37(28(19-26)25-11-5-2-6-12-25)30(39)35-18-16-32(40,31(21-35)14-7-8-15-31)22-36-23-34-27(20-29(36)38)24-9-3-1-4-10-24/h1-6,9-12,20,23,26,28,40H,7-8,13-19,21-22,33H2/t26-,28+,32-/m1/s1
Standard InChI Key: HUYPEWSYXZZSSU-OBNYREETSA-N
Associated Targets(Human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: UnknownTopical: 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: 541.70Molecular Weight (Monoisotopic): 541.3053AlogP: 4.19#Rotatable Bonds: 4Polar Surface Area: 104.69Molecular Species: BASEHBA: 6HBD: 2#RO5 Violations: 1HBA (Lipinski): 8HBD (Lipinski): 3#RO5 Violations (Lipinski): 1CX Acidic pKa: 13.88CX Basic pKa: 9.81CX LogP: 1.96CX LogD: -0.36Aromatic Rings: 3Heavy Atoms: 40QED Weighted: 0.52Np Likeness Score: -0.20
References 1. (2020) Pharmaceutical compounds and their use as inhibitors of ubiquitin specific protease 19 (usp19),