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Compound Detail

CHEMBL5854205

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CC(C)(Sc1ccncc1-c1ccc(Br)c2ccccc12)C(=O)O

Basic Information

ChEMBL ID CHEMBL5854205
Phase Preclinical
Structure Type MOL
InChI Key JWPJKGWUOFKVRA-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

402.3
MW (Da)
5.62
ALogP
3
HBA
1
HBD
50.2
PSA (Ų)
0.58
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16BrNO2S
MW 402.31
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.43

Activity Summary

EC50 2 meas. best 6.56

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Solute carrier family 22 member 12
CHEMBL6120
EC50 6.56 6.56 275.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine