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Compound Detail

CHEMBL1707960

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CN1C(=O)C(N=Nc2ccc([N+](=O)[O-])cc2)SC1=S

Basic Information

ChEMBL ID CHEMBL1707960
Phase Preclinical
Structure Type MOL
InChI Key HHLAJTWCKSBJFA-UHFFFAOYSA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

296.3
MW (Da)
2.49
ALogP
7
HBA
0
HBD
88.2
PSA (Ų)
0.37
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H8N4O3S2
MW 296.33
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -1.17

Activity Summary

EC50 1 meas. best 5.77
IC50 1 meas. best 5.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 2/Corticotropin-releasing factor-binding protein
CHEMBL3885546
EC50 5.77 5.77 1690.0 1
Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase
CHEMBL1741212
IC50 5.26 5.26 5430.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine