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((2-hydroxy-4-(6-((((R)-2-((R)-1-(N-hydroxyformamido)propyl)heptanamido)methyl)carbamoyl)pyridin-2-yl)benzamido)methyl)phosphonic acid ID: ALA4574798
Chembl Id: CHEMBL4574798
PubChem CID: 145227922
Max Phase: Preclinical
Molecular Formula: C26H36N5O9P
Molecular Weight: 593.57
Molecule Type: Unknown
Associated Items:
Names and Identifiers Canonical SMILES: CCCCC[C@@H](C(=O)NCNC(=O)c1cccc(-c2ccc(C(=O)NCP(=O)(O)O)c(O)c2)n1)[C@@H](CC)N(O)C=O
Standard InChI: InChI=1S/C26H36N5O9P/c1-3-5-6-8-18(22(4-2)31(37)16-32)24(34)27-14-28-26(36)21-10-7-9-20(30-21)17-11-12-19(23(33)13-17)25(35)29-15-41(38,39)40/h7,9-13,16,18,22,33,37H,3-6,8,14-15H2,1-2H3,(H,27,34)(H,28,36)(H,29,35)(H2,38,39,40)/t18-,22-/m1/s1
Standard InChI Key: MVLOBSNDFDPHEJ-XMSQKQJNSA-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: 593.57Molecular Weight (Monoisotopic): 593.2251AlogP: 1.95#Rotatable Bonds: 16Polar Surface Area: 218.49Molecular Species: ACIDHBA: 8HBD: 7#RO5 Violations: 2HBA (Lipinski): 14HBD (Lipinski): 7#RO5 Violations (Lipinski): 3CX Acidic pKa: 1.47CX Basic pKa: 2.32CX LogP: 1.35CX LogD: -0.69Aromatic Rings: 2Heavy Atoms: 41QED Weighted: 0.04Np Likeness Score: -0.08
References 1. (2017) Hydroxy formamide derivatives and their use,