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Compound Detail

CHEMBL238640

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Cc1cccc(C(=O)NC(N/C(=N/C#N)Nc2ccc(F)nc2)C(C)(Cl)Cl)c1

Basic Information

ChEMBL ID CHEMBL238640
Phase Preclinical
Structure Type MOL
InChI Key FPLPBYRFXXEWSG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

423.3
MW (Da)
3.32
ALogP
4
HBA
3
HBD
102.2
PSA (Ų)
0.17
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17Cl2FN6O
MW 423.28
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.67

Activity Summary

EC50 1 meas. best 5.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
ATP-sensitive inward rectifier potassium channel 11
CHEMBL1886
EC50 5.37 5.37 4265.8 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17973362 10.1021/jm7010194 ATP-sensitive inward rectifier potassium channel 11 1

Data from ChEMBL 36 via Core Engine