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.
Propionaldehyde O-(3-(tert-butylamino)-2-hydroxypropyl)oxime ID: ALA1178704
Chembl Id: CHEMBL1178704
PubChem CID: 10081581
Max Phase: Preclinical
Molecular Formula: C10H22N2O2
Molecular Weight: 202.30
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: CC/C=N/OCC(O)CNC(C)(C)C
Standard InChI: InChI=1S/C10H22N2O2/c1-5-6-12-14-8-9(13)7-11-10(2,3)4/h6,9,11,13H,5,7-8H2,1-4H3/b12-6+
Standard InChI Key: AJULDGAPFSVVHF-WUXMJOGZSA-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: 202.30Molecular Weight (Monoisotopic): 202.1681AlogP: 1.15#Rotatable Bonds: 6Polar Surface Area: 53.85Molecular Species: BASEHBA: 4HBD: 2#RO5 Violations: ┄HBA (Lipinski): 4HBD (Lipinski): 2#RO5 Violations (Lipinski): ┄CX Acidic pKa: ┄CX Basic pKa: 9.96CX LogP: 0.77CX LogD: -1.71Aromatic Rings: ┄Heavy Atoms: 14QED Weighted: 0.50Np Likeness Score: -0.29
References 1. Subbaiah MAM, Meanwell NA.. (2021) Bioisosteres of the Phenyl Ring: Recent Strategic Applications in Lead Optimization and Drug Design., 64 (19.0): [PMID:34591488 ] [10.1021/acs.jmedchem.1c01215 ]