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(+/-)-beta-Hydroxyornithine ID: ALA3247538
Chembl Id: CHEMBL3247538
PubChem CID: 3017541
Max Phase: Preclinical
Molecular Formula: C5H12N2O3
Molecular Weight: 148.16
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: NCCC(O)C(N)C(=O)O
Standard InChI: InChI=1S/C5H12N2O3/c6-2-1-3(8)4(7)5(9)10/h3-4,8H,1-2,6-7H2,(H,9,10)
Standard InChI Key: UHPDQDWXMXBLRX-UHFFFAOYSA-N
Associated Targets(non-human) Molecule Features Natural Product: YesOral: 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: 148.16Molecular Weight (Monoisotopic): 148.0848AlogP: -1.89#Rotatable Bonds: 4Polar Surface Area: 109.57Molecular Species: ZWITTERIONHBA: 4HBD: 4#RO5 Violations: ┄HBA (Lipinski): 5HBD (Lipinski): 6#RO5 Violations (Lipinski): 1CX Acidic pKa: 2.34CX Basic pKa: 9.89CX LogP: -4.86CX LogD: -6.09Aromatic Rings: ┄Heavy Atoms: 10QED Weighted: 0.37Np Likeness Score: 1.27
References 1. Bey P, Danzin C, Van Dorsselaer V, Mamont P, Jung M, Tardif C.. (1978) Analogues of ornithine as inhibitors of ornithine decarboxylase. New deductions concerning the topography of the enzyme's active site., 21 (1): [PMID:619149 ] [10.1021/jm00199a009 ]