Details of the Drug

General Information of Drug (ID: DMGLEM1)

Drug Name
PF9601N
Synonyms PF9601N; 133845-63-3; CHEMBL45069; FA-3; SYN5118; AOB1749; BDBM50087800; ZINC29405716; NCGC00370705-03; AS-16482
Indication
Disease Entry ICD 11 Status REF
Parkinson disease 8A00.0 Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 290.4
Logarithm of the Partition Coefficient (xlogp) 3
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C19H18N2O
IUPAC Name
N-[(5-phenylmethoxy-1H-indol-2-yl)methyl]prop-2-yn-1-amine
Canonical SMILES
C#CCNCC1=CC2=C(N1)C=CC(=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C19H18N2O/c1-2-10-20-13-17-11-16-12-18(8-9-19(16)21-17)22-14-15-6-4-3-5-7-15/h1,3-9,11-12,20-21H,10,13-14H2
InChIKey
YFPNAYXYKXAKJC-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9947954
TTD ID
D0W7LO

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Monoamine oxidase type B (MAO-B) TTGP7BY AOFB_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Parkinson disease
ICD Disease Classification 8A00.0
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Monoamine oxidase type B (MAO-B) DTT MAOB 2.65E-02 1.12E-02 0.07
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 CYP-dependent metabolism of PF9601N, a new monoamine oxidase-B inhibitor, by C57BL/6 mouse and human liver microsomes. J Pharm Pharm Sci. 2007;10(4):473-85.
2 Drugs used to treat Parkinson's disease, present status and future directions. CNS Neurol Disord Drug Targets. 2008 Oct;7(4):321-42.