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.
2-[(3,4-Dihydroxy-phenyl)-hydroxy-methyl]-3H-imidazol-1-ium chloride ID: ALA14837
Chembl Id: CHEMBL14837
PubChem CID: 14687333
Max Phase: Preclinical
Molecular Formula: C10H11ClN2O3
Molecular Weight: 206.20
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: Cl.Oc1ccc(C(O)c2ncc[nH]2)cc1O
Standard InChI: InChI=1S/C10H10N2O3.ClH/c13-7-2-1-6(5-8(7)14)9(15)10-11-3-4-12-10;/h1-5,9,13-15H,(H,11,12);1H
Standard InChI Key: HLWGCXFNOIPUAN-UHFFFAOYSA-N
Associated Targets(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: 206.20Molecular Weight (Monoisotopic): 206.0691AlogP: 0.90#Rotatable Bonds: 2Polar Surface Area: 89.37Molecular Species: NEUTRALHBA: 4HBD: 4#RO5 Violations: ┄HBA (Lipinski): 5HBD (Lipinski): 4#RO5 Violations (Lipinski): ┄CX Acidic pKa: 9.20CX Basic pKa: 5.76CX LogP: 0.49CX LogD: 0.47Aromatic Rings: 2Heavy Atoms: 15QED Weighted: 0.55Np Likeness Score: 0.30
References 1. Miller DD, Hamada A, Clark MT, Adejare A, Patil PN, Shams G, Romstedt KJ, Kim SU, Intrasuksri U, McKenzie JL.. (1990) Synthesis and alpha 2-adrenoceptor effects of substituted catecholimidazoline and catecholimidazole analogues in human platelets., 33 (4): [PMID:2157007 ] [10.1021/jm00166a009 ]