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Compound Detail

CHEMBL5080345

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C#CC(=O)N(c1cccc(Cl)c1)C(C(=O)NC(C)(C)C)c1ccc(N)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5080345
Phase Preclinical
Structure Type MOL
InChI Key OUCYNDCFDLWAEV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

383.9
MW (Da)
3.54
ALogP
3
HBA
2
HBD
75.4
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22ClN3O2
MW 383.88
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.46

Activity Summary

EC50 1 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Huh-7
CHEMBL614039
 EC50 7.0 7.0 100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Huh-7 EC50 = 100.0 nM 7.0 Antiproliferative activity against human Huh-7 cells after 24 hrs by Cell Titer ... -

Data from ChEMBL 36 via Core Engine