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Compound Detail

CHEMBL5775948

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CC(C)C(C)(C#N)NC(=O)c1cc(NC(=O)Cc2cc(Cl)ccc2O)ccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5775948
Phase Preclinical
Structure Type MOL
InChI Key ONDXTUMYQWQGCA-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

400.9
MW (Da)
3.29
ALogP
5
HBA
3
HBD
115.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21ClN4O3
MW 400.87
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.37

Activity Summary

EC50 2 meas. best 6.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Anoctamin-1
CHEMBL2046267
 EC50 6.92 6.92 120.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Anoctamin-1 EC50 = 120.0 nM 6.92 Automated Whole-Cell Patch Clamp Assay to Detect TMEM16A Activity in Recombinant... -
Anoctamin-1 EC50 = 120.0 nM 6.92 Automated Whole-Cell Patch Clamp Assay: Cell Culture and PreparationFisher rat t... -

Data from ChEMBL 36 via Core Engine