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.
8-Bromo-1-(4-fluorophenyl)-5,5-dimethyl-4,5-dihydro-1H-benzo[g]indazole ID: ALA2017533
Chembl Id: CHEMBL2017533
PubChem CID: 60150559
Max Phase: Preclinical
Molecular Formula: C19H16BrFN2
Molecular Weight: 371.25
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: CC1(C)Cc2cnn(-c3ccc(F)cc3)c2-c2cc(Br)ccc21
Standard InChI: InChI=1S/C19H16BrFN2/c1-19(2)10-12-11-22-23(15-6-4-14(21)5-7-15)18(12)16-9-13(20)3-8-17(16)19/h3-9,11H,10H2,1-2H3
Standard InChI Key: FOYCBTUHPUSRLS-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: 371.25Molecular Weight (Monoisotopic): 370.0481AlogP: 5.27#Rotatable Bonds: 1Polar Surface Area: 17.82Molecular Species: NEUTRALHBA: 2HBD: ┄#RO5 Violations: 1HBA (Lipinski): 2HBD (Lipinski): ┄#RO5 Violations (Lipinski): 1CX Acidic pKa: ┄CX Basic pKa: 1.47CX LogP: 5.69CX LogD: 5.69Aromatic Rings: 3Heavy Atoms: 23QED Weighted: 0.57Np Likeness Score: -0.95
References 1. Reddy TS, Kumar KS, Meda CL, Kandale A, Rambabu D, Krishna GR, Hariprasad C, Rao VV, Venkataiah S, Reddy CM, Naidu A, Dubey PK, Parsa KV, Pal M.. (2012) Conformationally restricted novel pyrazole derivatives: synthesis of 1,8-disubstituted 5,5-dimethyl-4,5-dihydro-1H-benzo[g]indazoles as a new class of PDE4 inhibitors., 22 (9): [PMID:22464134 ] [10.1016/j.bmcl.2012.03.029 ]