Details of the Drug

General Information of Drug (ID: DMH1FRY)

Drug Name
RWJ-416457
Synonyms JNJ-10283104; JNJ-10391849; Oxazolidinones, RW Johnson; RJW-334181; RWJ-302377; RWJ-306490; RWJ-334181; RWJ-337813; RWJ-400294; RWJ-417174; RWJ-445158
Indication
Disease Entry ICD 11 Status REF
Bacterial infection 1A00-1C4Z Preclinical [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 373.4
Logarithm of the Partition Coefficient (xlogp) 0.5
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C18H20FN5O3
IUPAC Name
N-[[(5S)-3-[3-fluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
Canonical SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3CC4=CN(N=C4C3)C)F
InChI
InChI=1S/C18H20FN5O3/c1-11(25)20-6-14-9-24(18(26)27-14)13-3-4-17(15(19)5-13)23-8-12-7-22(2)21-16(12)10-23/h3-5,7,14H,6,8-10H2,1-2H3,(H,20,25)/t14-/m0/s1
InChIKey
UCBHICFFJKDMMR-AWEZNQCLSA-N
Cross-matching ID
PubChem CID
15984076
CAS Number
474016-05-2
TTD ID
D0I9LO

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 Bacterial infection
ICD Disease Classification 1A00-1C4Z
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 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800016773)
2 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 2490).