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Compound Detail

CHEMBL5888912

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C#CC(C)(C)NC(=O)c1cc(NC(=O)Cc2cc(Cl)ccc2O)ccn1

Basic Information

ChEMBL ID CHEMBL5888912
Phase Preclinical
Structure Type MOL
InChI Key LSBYRABIJARLQT-UHFFFAOYSA-N
1
Targets
2
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 -1.26

Activity Summary

EC50 2 meas. best 7.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Anoctamin-1
CHEMBL2046267
EC50 7.7 7.7 20.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine