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Compound Detail

CHEMBL1958232

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O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1958232
Phase Preclinical
Structure Type MOL
InChI Key QVEDXOJKSBOJFM-OQLLNIDSSA-N

Known Names

NSC-204474
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
1
Known Names

Molecular Properties

285.3
MW (Da)
2.06
ALogP
5
HBA
2
HBD
104.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H11N3O4
MW 285.26
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.69

Activity Summary

IC50 1 meas. best 4.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus type 1 reverse transcriptase
CHEMBL247
 IC50 4.68 4.68 21000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human immunodeficiency virus type 1 reverse transcriptase IC50 = 21000.0 nM 4.68 Inhibition of ribonuclease H activity of HIV1 reverse transcriptase using as pol... 22361685

Literature References

PubMed DOI Target Context # Activities
22361685 10.1016/j.ejmech.2012.01.056 Human immunodeficiency virus type 1 reverse transcriptase 2
36401884 10.1016/j.ejmech.2022.114918 NIH3T3 2

Data from ChEMBL 36 via Core Engine