Details of the Drug

General Information of Drug (ID: DMTJBP9)

Drug Name
PF-670462
Synonyms
950912-80-8; PF 670462; PF670462; UNII-D68ANS5I8B; D68ANS5I8B; 4-[1-Cyclohexyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]-2-pyrimidinamine Dihydrochloride; PF-670462 HCl; 950912-80-8 (HCl); 4-[1-Cyclohexyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]-2-pyrimidinaminedihydrochloride; 4-[1-cyclohexyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-amine dihydrochloride; 4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine;dihydrochloride; 4-[3-Cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine dihydrochloride; 4-(1-cyclohexyl-4-(4-fluorophenyl)-1H-imidazol-5-yl)pyrimidin-2-amine dihydrochloride; PF670462 dihydrochloride; cc-367; C19H20FN5.2ClH; C19H20FN5.2HCl; SCHEMBL18921552; CHEBI:87236; AOB3526; DTXSID50679609; BCP04305; EX-A2193; 3966AH; MFCD12828759; AKOS024457546; BCP9000015; CS-1015; QC-8952; 2-Pyrimidinamine, 4-(1-cyclohexyl-4-(4-fluorophenyl)-1H-imidazol-5-yl)-, hydrochloride (1:2); AC-32583; AK232229; AS-73728; HY-15490; BCP0726000078; FT-0673653; S6734; A11781; S-7816; PF670462/ PF-670462; J-514222; Q27159459; 4-[1-Cyclohexyl-4-(4-fluorophenyl)- 1H-imidazol-5-yl]-2-pyrimidinamine dihydrochloride; 4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-aminedihydrochloride; 4-[1-Cyclohexyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-amine--hydrogen chloride (1/2)
Indication
Disease Entry ICD 11 Status REF
Chronic lymphocytic leukaemia 2A82.0 Preclinical [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 410.3
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 3
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Chemical Identifiers
Formula
C19H22Cl2FN5
IUPAC Name
4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine;dihydrochloride
Canonical SMILES
C1CCC(CC1)N2C=NC(=C2C3=NC(=NC=C3)N)C4=CC=C(C=C4)F.Cl.Cl
InChI
InChI=1S/C19H20FN5.2ClH/c20-14-8-6-13(7-9-14)17-18(16-10-11-22-19(21)24-16)25(12-23-17)15-4-2-1-3-5-15;;/h6-12,15H,1-5H2,(H2,21,22,24);2*1H
InChIKey
PSNKGVAXBSAHCH-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
51049607
ChEBI ID
CHEMBL87236
CAS Number
950912-80-8
TTD ID
DZK7E0
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Casein kinase I delta (CSNK1D) TTH30UI KC1D_HUMAN Inhibitor [1]
Casein kinase I epsilon (CSNK1E) TTA8PLI KC1E_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Casein kinase 1 is a therapeutic target in chronic lymphocytic leukemia. Blood. 2018 Mar 15;131(11):1206-1218.