Details of the Drug

General Information of Drug (ID: DMEUT0W)

Drug Name
PF-06447475
Synonyms
1527473-33-1; PF06447475; 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile; CHEMBL3393348; 3FE; GTPL8054; SCHEMBL15401353; EX-A560; AOB5482; BHTWDJBVZQBRKP-UHFFFAOYSA-N; MolPort-039-137-476; BCP14890; BDBM50059277; s8202; ZINC210747484; AKOS025404704; SB17260; CS-3553; NCGC00390733-02; BC600699; DA-44137; HY-12477; AK174244; QC-11808; FT-0700214; PF 06447475; PF-06447475, > J-690197; 3-(4-morpholino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)benzonitrile
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 305.33
Logarithm of the Partition Coefficient (xlogp) 2.1
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C17H15N5O
IUPAC Name
3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)benzonitrile
Canonical SMILES
C1COCCN1C2=NC=NC3=C2C(=CN3)C4=CC=CC(=C4)C#N
InChI
InChI=1S/C17H15N5O/c18-9-12-2-1-3-13(8-12)14-10-19-16-15(14)17(21-11-20-16)22-4-6-23-7-5-22/h1-3,8,10-11H,4-7H2,(H,19,20,21)
InChIKey
BHTWDJBVZQBRKP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
72706840
ChEBI ID
CHEMBL3393348
TTD ID
D0WK9R
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Leucine-rich repeat kinase 2 (LRRK2) TTK0FEA LRRK2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Discovery and preclinical profiling of 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile (PF-06447475), a highly potent, selective, brain penetrant, and in vivo active LRRK2 kinase inhibitor. J Med Chem. 2015 Jan 8;58(1):419-32.