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2,2'-((3-ethoxy-5-(6-((((R)-2-((R)-1-(N-hydroxyformamido)propyl)heptanamido)methyl)carbamoyl)pyridin-2-yl)benzoyl)azanediyl)diacetic acid hydrochloride ID: ALA4518043
Chembl Id: CHEMBL4518043
PubChem CID: 155541408
Max Phase: Preclinical
Molecular Formula: C31H42ClN5O10
Molecular Weight: 643.69
Molecule Type: Unknown
Associated Items:
Names and Identifiers Canonical SMILES: CCCCC[C@@H](C(=O)NCNC(=O)c1cccc(-c2cc(OCC)cc(C(=O)N(CC(=O)O)CC(=O)O)c2)n1)[C@@H](CC)N(O)C=O.Cl
Standard InChI: InChI=1S/C31H41N5O10.ClH/c1-4-7-8-10-23(26(5-2)36(45)19-37)29(42)32-18-33-30(43)25-12-9-11-24(34-25)20-13-21(15-22(14-20)46-6-3)31(44)35(16-27(38)39)17-28(40)41;/h9,11-15,19,23,26,45H,4-8,10,16-18H2,1-3H3,(H,32,42)(H,33,43)(H,38,39)(H,40,41);1H/t23-,26-;/m1./s1
Standard InChI Key: FWRKFQXHXGKCEJ-MIPPOABVSA-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: 643.69Molecular Weight (Monoisotopic): 643.2853AlogP: 2.38#Rotatable Bonds: 20Polar Surface Area: 215.77Molecular Species: ACIDHBA: 9HBD: 5#RO5 Violations: 1HBA (Lipinski): 15HBD (Lipinski): 5#RO5 Violations (Lipinski): 2CX Acidic pKa: 2.84CX Basic pKa: 2.13CX LogP: 2.03CX LogD: -4.77Aromatic Rings: 2Heavy Atoms: 46QED Weighted: 0.05Np Likeness Score: -0.53
References 1. (2017) Hydroxy formamide derivatives and their use,