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.
ID: ALA540625
Max Phase: Preclinical
Molecular Formula: C17H26ClNO
Molecular Weight: 259.39
Molecule Type: Small molecule
Associated Items:
Representations Canonical SMILES: CC[C@@]1(O)CCN2CCCC[C@@H]2[C@H]1c1ccccc1.Cl
Standard InChI: InChI=1S/C17H25NO.ClH/c1-2-17(19)11-13-18-12-7-6-10-15(18)16(17)14-8-4-3-5-9-14;/h3-5,8-9,15-16,19H,2,6-7,10-13H2,1H3;1H/t15-,16-,17-;/m1./s1
Standard InChI Key: LRCULZAWINWEES-UATJXVQHSA-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
Properties Molecular Weight: 259.39Molecular Weight (Monoisotopic): 259.1936AlogP: 3.17#Rotatable Bonds: 2Polar Surface Area: 23.47Molecular Species: BASEHBA: 2HBD: 1#RO5 Violations: 0HBA (Lipinski): 2HBD (Lipinski): 1#RO5 Violations (Lipinski): 0CX Acidic pKa: CX Basic pKa: 9.41CX LogP: 2.83CX LogD: 0.84Aromatic Rings: 1Heavy Atoms: 19QED Weighted: 0.88Np Likeness Score: 0.64
References 1. Kim DI, Deutsch HM, Ye X, Schweri MM.. (2007) Synthesis and pharmacology of site-specific cocaine abuse treatment agents: restricted rotation analogues of methylphenidate., 50 (11): [PMID:17489581 ] [10.1021/jm061354p ]
