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Compound Detail

CHEMBL5748528

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C#CC(C)(C)NC(=O)c1cc(NC(=O)Cc2ccc(Cl)c(O)c2)ccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5748528
Phase Preclinical
Structure Type MOL
InChI Key KTRJIUHBRNTCIR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

371.8
MW (Da)
2.76
ALogP
4
HBA
3
HBD
91.3
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18ClN3O3
MW 371.82
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.28

Activity Summary

EC50 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Anoctamin-1
CHEMBL2046267
 EC50 8.0 8.0 10.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Anoctamin-1 EC50 = 10.0 nM 8.0 Automated Whole-Cell Patch Clamp Assay to Detect TMEM16A Activity in Recombinant... -

Data from ChEMBL 36 via Core Engine