The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.
(S)-2-(2-chloro-4-(6-((((R)-2-((R)-1-N-hydroxyformamido)propyl)heptanamido)methyl)carbamoyl)pyridin-2-yl)benzamido)succinic acid ID: ALA4575189
Chembl Id: CHEMBL4575189
PubChem CID: 145227786
Max Phase: Preclinical
Molecular Formula: C29H36ClN5O9
Molecular Weight: 634.09
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(Cl)c2)n1)[C@@H](CC)N(O)C=O
Standard InChI: InChI=1S/C29H36ClN5O9/c1-3-5-6-8-19(24(4-2)35(44)16-36)26(39)31-15-32-28(41)22-10-7-9-21(33-22)17-11-12-18(20(30)13-17)27(40)34-23(29(42)43)14-25(37)38/h7,9-13,16,19,23-24,44H,3-6,8,14-15H2,1-2H3,(H,31,39)(H,32,41)(H,34,40)(H,37,38)(H,42,43)/t19-,23+,24-/m1/s1
Standard InChI Key: NPBCILDTXSXRMM-VEXUSMLFSA-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: 634.09Molecular Weight (Monoisotopic): 633.2202AlogP: 2.69#Rotatable Bonds: 18Polar Surface Area: 215.33Molecular Species: ACIDHBA: 8HBD: 6#RO5 Violations: 2HBA (Lipinski): 14HBD (Lipinski): 6#RO5 Violations (Lipinski): 3CX Acidic pKa: 3.12CX Basic pKa: 2.20CX LogP: 2.71CX LogD: -2.93Aromatic Rings: 2Heavy Atoms: 44QED Weighted: 0.05Np Likeness Score: -0.30
References 1. (2017) Hydroxy formamide derivatives and their use,