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]
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
PubChem CID
9882197
CAS Number
167648-73-9
TTD ID
D0Z3LC
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]
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.