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Compound Detail

CHEMBL5094230

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C#CCOc1cccc(Nc2ncnc3ccc(NC(=O)CCl)cc23)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5094230
Phase Preclinical
Structure Type MOL
InChI Key GUSWAPQBWHGWLI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

366.8
MW (Da)
3.56
ALogP
5
HBA
2
HBD
76.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15ClN4O2
MW 366.81
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.96

Activity Summary

IC50 1 meas. best 8.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GMP synthase [glutamine-hydrolyzing]
CHEMBL5721
 IC50 8.21 8.21 6.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
GMP synthase [glutamine-hydrolyzing] IC50 = 6.2 nM 8.21 Inhibition of recombinant human GMPS -

Data from ChEMBL 36 via Core Engine