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Compound Detail

CHEMBL5944799

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CC(C)(C#N)NC(=O)c1cc(NC(=O)Cc2ccc(Cl)c(O)c2)ccn1

Basic Information

ChEMBL ID CHEMBL5944799
Phase Preclinical
Structure Type MOL
InChI Key SIPFQZLECWRUCV-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

372.8
MW (Da)
2.65
ALogP
5
HBA
3
HBD
115.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17ClN4O3
MW 372.81
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.43

Activity Summary

EC50 3 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Anoctamin-1
CHEMBL2046267
EC50 8.0 7.2333 10.0 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine