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Compound Detail

CHEMBL1318140

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CNc1ncnc(Sc2nc(N)nc3[nH]cnc23)c1[N+](=O)[O-]

Basic Information

ChEMBL ID CHEMBL1318140
Phase Preclinical
Structure Type MOL
InChI Key URIYRDCSAYRGKI-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

319.3
MW (Da)
0.83
ALogP
10
HBA
3
HBD
161.4
PSA (Ų)
0.36
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 C10H9N9O2S
MW 319.31
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.99

Activity Summary

IC50 2 meas. best 5.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nuclear receptor coactivator 3
CHEMBL1615382
IC50 5.55 5.55 2810.0 1
Tegument protein VP16
CHEMBL4218
IC50 5.24 5.24 5786.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine