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(R)-2-(N-(5-Acetamidopentyl)-4-fluoro-3-methylphenylsulfonamido)-N-hydroxypropanamide ID: ALA3634977
Chembl Id: CHEMBL3634977
PubChem CID: 122196505
Max Phase: Preclinical
Molecular Formula: C17H26FN3O5S
Molecular Weight: 403.48
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: CC(=O)NCCCCCN([C@H](C)C(=O)NO)S(=O)(=O)c1ccc(F)c(C)c1
Standard InChI: InChI=1S/C17H26FN3O5S/c1-12-11-15(7-8-16(12)18)27(25,26)21(13(2)17(23)20-24)10-6-4-5-9-19-14(3)22/h7-8,11,13,24H,4-6,9-10H2,1-3H3,(H,19,22)(H,20,23)/t13-/m1/s1
Standard InChI Key: DOQSNVWXKRHEOT-CYBMUJFWSA-N
Associated Targets(non-human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Small moleculeTopical: 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: 403.48Molecular Weight (Monoisotopic): 403.1577AlogP: 1.33#Rotatable Bonds: 10Polar Surface Area: 115.81Molecular Species: NEUTRALHBA: 5HBD: 3#RO5 Violations: ┄HBA (Lipinski): 8HBD (Lipinski): 3#RO5 Violations (Lipinski): ┄CX Acidic pKa: 8.71CX Basic pKa: ┄CX LogP: 0.96CX LogD: 0.94Aromatic Rings: 1Heavy Atoms: 27QED Weighted: 0.31Np Likeness Score: -1.39
References 1. Kurbanov EK, Chiu TL, Solberg J, Francis S, Maize KM, Fernandez J, Johnson RL, Hawkinson JE, Walters MA, Finzel BC, Amin EA.. (2015) Probing the S2' Subsite of the Anthrax Toxin Lethal Factor Using Novel N-Alkylated Hydroxamates., 58 (21): [PMID:26492514 ] [10.1021/acs.jmedchem.5b01446 ]