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Compound Detail

CHEMBL2110262

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CC(Cl)(Cl)[C@H](NC(=O)c1ccc(Cl)cc1)N/C(=N/C#N)Nc1ccc(Cl)nc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2110262
Phase Preclinical
Structure Type MOL
InChI Key NULKQOQUGAKMTR-OAHLLOKOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

460.1
MW (Da)
4.18
ALogP
4
HBA
3
HBD
102.2
PSA (Ų)
0.16
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 C17H14Cl4N6O
MW 460.15
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.55

Activity Summary

EC50 1 meas. best 5.67

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
ATP-sensitive inward rectifier potassium channel 11
CHEMBL1886
 EC50 5.67 5.67 2138.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
ATP-sensitive inward rectifier potassium channel 11 EC50 = 2137.96 nM 5.67 Channel opening activity at human bladder Kir6.2 channel containing SUR2B expres... 17973362

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