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Compound Detail

CHEMBL3715846

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COc1ccc(-c2nnc(SCC(=O)O)[nH]2)cc1[N+](=O)[O-]

Basic Information

ChEMBL ID CHEMBL3715846
Phase Preclinical
Structure Type MOL
InChI Key DGOXBABDXDPZPI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

310.3
MW (Da)
1.57
ALogP
7
HBA
2
HBD
131.2
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H10N4O5S
MW 310.29
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.62

Activity Summary

IC50 1 meas. best 5.98

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
G protein-coupled receptor kinase 6
CHEMBL6144
IC50 5.98 5.98 1050.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine