2-amino-N-benzyl-N-hydroxyacetamide

ID: ALA3957915

Chembl Id: CHEMBL3957915

PubChem CID: 1203632

Max Phase: Preclinical

Molecular Formula: C9H12N2O2

Molecular Weight: 180.21

Molecule Type: Small molecule

Associated Items:

Names and Identifiers

Canonical SMILES:  NCC(=O)N(O)Cc1ccccc1

Standard InChI:  InChI=1S/C9H12N2O2/c10-6-9(12)11(13)7-8-4-2-1-3-5-8/h1-5,13H,6-7,10H2

Standard InChI Key:  MXJXEKGTSLXCMM-UHFFFAOYSA-N

Alternative Forms

Associated Targets(non-human)

hemO Biliverdin-producing heme oxygenase (120 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
pigA Heme oxygenase (252 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Pseudomonas aeruginosa (123386 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Calculated Properties

Molecular Weight: 180.21Molecular Weight (Monoisotopic): 180.0899AlogP: 0.36#Rotatable Bonds: 3
Polar Surface Area: 66.56Molecular Species: NEUTRALHBA: 3HBD: 2
#RO5 Violations: HBA (Lipinski): 4HBD (Lipinski): 3#RO5 Violations (Lipinski):
CX Acidic pKa: 8.33CX Basic pKa: 7.51CX LogP: -0.49CX LogD: -0.61
Aromatic Rings: 1Heavy Atoms: 13QED Weighted: 0.52Np Likeness Score: -0.38

References

1.  (2013)  Heme oxygenase inhibitors, screening methods for heme oxygenase inhibitors and methods of use of heme oxygenase inhibitors for antimicrobial therapy, 

Source