DL-alpha-Methyllysine Hydrochloride

ID: ALA3247540

Chembl Id: CHEMBL3247540

PubChem CID: 71434538

Max Phase: Preclinical

Molecular Formula: C7H17ClN2O2

Molecular Weight: 160.22

Molecule Type: Small molecule

Associated Items:

Names and Identifiers

Canonical SMILES:  CC(N)(CCCCN)C(=O)O.Cl

Standard InChI:  InChI=1S/C7H16N2O2.ClH/c1-7(9,6(10)11)4-2-3-5-8;/h2-5,8-9H2,1H3,(H,10,11);1H

Standard InChI Key:  ATVNXLPXCQAAAI-UHFFFAOYSA-N

Associated Targets(non-human)

Odc1 Ornithine decarboxylase (167 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: 160.22Molecular Weight (Monoisotopic): 160.1212AlogP: -0.08#Rotatable Bonds: 5
Polar Surface Area: 89.34Molecular Species: ZWITTERIONHBA: 3HBD: 3
#RO5 Violations: HBA (Lipinski): 4HBD (Lipinski): 5#RO5 Violations (Lipinski):
CX Acidic pKa: 2.76CX Basic pKa: 10.34CX LogP: -2.81CX LogD: -4.71
Aromatic Rings: Heavy Atoms: 11QED Weighted: 0.49Np Likeness Score: 1.05

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]

Source