Details of the Drug

General Information of Drug (ID: DMYRPBI)

Drug Name

SR-4554

Synonyms

CRC-94/17; N-(3,3,3-Trifluoro-2-hydroxypropyl)-2-(2-nitro-1-imidazolyl)acetamide

Indication

Disease Entry	ICD 11	Status	REF
Diagnostic imaging	N.A.	Phase 1	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

282.18

Logarithm of the Partition Coefficient (xlogp)

-0.2

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

8

Chemical Identifiers

Formula: C8H9F3N4O4
IUPAC Name: 2-(2-nitroimidazol-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
Canonical SMILES: C1=CN(C(=N1)[N+](=O)[O-])CC(=O)NCC(C(F)(F)F)O
InChI: InChI=1S/C8H9F3N4O4/c9-8(10,11)5(16)3-13-6(17)4-14-2-1-12-7(14)15(18)19/h1-2,5,16H,3-4H2,(H,13,17)
InChIKey: BTLNRJMECFTISR-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Intracellular nitroreductase (INR)	TT5XVD6	NOUNIPROTAC	Modulator	[2]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction 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 800007525)
2	A phase I study of SR-4554 via intravenous administration for noninvasive investigation of tumor hypoxia by magnetic resonance spectroscopy in patients with malignancy. Clin Cancer Res. 2003 Nov 1;9(14):5101-12.