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5-((((R)-2-((R)-1-(N-hydroxyformamido)propyl)heptanamido)methyl)carbamoyl)-[1,1'-biphenyl]-3-carboxylic acid ID: ALA4562493
Chembl Id: CHEMBL4562493
PubChem CID: 124189778
Max Phase: Preclinical
Molecular Formula: C26H33N3O6
Molecular Weight: 483.57
Molecule Type: Unknown
Associated Items:
Names and Identifiers Canonical SMILES: CCCCC[C@@H](C(=O)NCNC(=O)c1cc(C(=O)O)cc(-c2ccccc2)c1)[C@@H](CC)N(O)C=O
Standard InChI: InChI=1S/C26H33N3O6/c1-3-5-7-12-22(23(4-2)29(35)17-30)25(32)28-16-27-24(31)20-13-19(14-21(15-20)26(33)34)18-10-8-6-9-11-18/h6,8-11,13-15,17,22-23,35H,3-5,7,12,16H2,1-2H3,(H,27,31)(H,28,32)(H,33,34)/t22-,23-/m1/s1
Standard InChI Key: FURGAXLPHVAPPJ-DHIUTWEWSA-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: 483.57Molecular Weight (Monoisotopic): 483.2369AlogP: 3.68#Rotatable Bonds: 14Polar Surface Area: 136.04Molecular Species: ACIDHBA: 5HBD: 4#RO5 Violations: ┄HBA (Lipinski): 9HBD (Lipinski): 4#RO5 Violations (Lipinski): ┄CX Acidic pKa: 3.81CX Basic pKa: ┄CX LogP: 3.82CX LogD: 0.51Aromatic Rings: 2Heavy Atoms: 35QED Weighted: 0.11Np Likeness Score: 0.02
References 1. (2017) Hydroxy formamide derivatives and their use,