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]
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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
TTD ID: D0WK9R

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.