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]
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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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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)

MEA Detail

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).