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Compound Detail

CHEMBL1208090

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Nc1ccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)cc1

Basic Information

ChEMBL ID CHEMBL1208090
Phase Preclinical
Structure Type MOL
InChI Key ZCQMYMXRGJWSHH-UHFFFAOYSA-N
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

409.4
MW (Da)
2.62
ALogP
7
HBA
4
HBD
152.6
PSA (Ų)
0.30
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 C20H15N3O5S
MW 409.42
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.27

Activity Summary

IC50 4 meas. best 5.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1/gamma-2
CHEMBL3883319
IC50 5.6 4.89 2500.0 4

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine