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Compound Detail

CHEMBL5887827

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CC(C)(Sc1ccncc1-c1cccc2ccccc12)C(=O)O

Basic Information

ChEMBL ID CHEMBL5887827
Phase Preclinical
Structure Type MOL
InChI Key ZZSCTQCUDZXXLO-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

323.4
MW (Da)
4.86
ALogP
3
HBA
1
HBD
50.2
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17NO2S
MW 323.42
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.36

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