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
CHEBI:87236
CAS Number
950912-80-8
TTD ID
DZK7E0

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.