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Compound Detail

CHEMBL5928080

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CC(C)(Sc1ccncc1-c1ccc(C#N)cc1F)C(=O)O

Basic Information

ChEMBL ID CHEMBL5928080
Phase Preclinical
Structure Type MOL
InChI Key BMYCQOOHTIKOAX-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

316.4
MW (Da)
3.71
ALogP
4
HBA
1
HBD
74.0
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13FN2O2S
MW 316.36
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.11

Activity Summary

EC50 2 meas. best 7.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Solute carrier family 22 member 12
CHEMBL6120
EC50 7.6 7.59 25.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine