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(S)-2-(4-(6-((((R)-2-((R)-1-(N-hydroxyformamido)propyl)heptanamido)methyl)carbamoyl)pyridin-2-yl)-2-methylbenzamido)succinic acid Hydrochloride ID: ALA4534036
Chembl Id: CHEMBL4534036
PubChem CID: 155546933
Max Phase: Preclinical
Molecular Formula: C30H40ClN5O9
Molecular Weight: 613.67
Molecule Type: Unknown
Associated Items:
Names and Identifiers Canonical SMILES: CCCCC[C@@H](C(=O)NCNC(=O)c1cccc(-c2ccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)c(C)c2)n1)[C@@H](CC)N(O)C=O.Cl
Standard InChI: InChI=1S/C30H39N5O9.ClH/c1-4-6-7-9-21(25(5-2)35(44)17-36)27(39)31-16-32-29(41)23-11-8-10-22(33-23)19-12-13-20(18(3)14-19)28(40)34-24(30(42)43)15-26(37)38;/h8,10-14,17,21,24-25,44H,4-7,9,15-16H2,1-3H3,(H,31,39)(H,32,41)(H,34,40)(H,37,38)(H,42,43);1H/t21-,24+,25-;/m1./s1
Standard InChI Key: QHCSULSRIUITGX-HDFQZRMESA-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: 613.67Molecular Weight (Monoisotopic): 613.2748AlogP: 2.34#Rotatable Bonds: 18Polar Surface Area: 215.33Molecular Species: ACIDHBA: 8HBD: 6#RO5 Violations: 2HBA (Lipinski): 14HBD (Lipinski): 6#RO5 Violations (Lipinski): 3CX Acidic pKa: 3.35CX Basic pKa: 2.28CX LogP: 2.71CX LogD: -2.68Aromatic Rings: 2Heavy Atoms: 44QED Weighted: 0.05Np Likeness Score: -0.20
References 1. (2017) Hydroxy formamide derivatives and their use,