Details of the Drug

General Information of Drug (ID: DM8P9ST)

Drug Name
PF-4800567
Synonyms PF4800567; PF 4800567
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 (mw) 359.8
Logarithm of the Partition Coefficient (xlogp) 2.3
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C17H18ClN5O2
IUPAC Name
3-[(3-chlorophenoxy)methyl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
Canonical SMILES
C1COCCC1N2C3=NC=NC(=C3C(=N2)COC4=CC(=CC=C4)Cl)N
InChI
InChI=1S/C17H18ClN5O2/c18-11-2-1-3-13(8-11)25-9-14-15-16(19)20-10-21-17(15)23(22-14)12-4-6-24-7-5-12/h1-3,8,10,12H,4-7,9H2,(H2,19,20,21)
InChIKey
AUMDBEHGJRZSOO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
53472153
ChEBI ID
CHEMBL87237
CAS Number
1188296-52-7
TTD ID
D06QYR
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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 [2]
Casein kinase I epsilon (CSNK1E) TTA8PLI KC1E_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Circadian rhythm as a therapeutic target. Nat Rev Drug Discov. 2021 Apr;20(4):287-307.
2 Selective inhibition of casein kinase 1 epsilon minimally alters circadian clock period. J Pharmacol Exp Ther. 2009 Aug;330(2):430-9.