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Compound Detail

CHEMBL1540401

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CC(=O)Nc1ccc(N/C=C2\C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1

Basic Information

ChEMBL ID CHEMBL1540401
Phase Preclinical
Structure Type MOL
InChI Key URMMDYQVDSQYOM-JCMHNJIXSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

414.5
MW (Da)
3.39
ALogP
5
HBA
2
HBD
102.3
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H22N4O3
MW 414.47
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.39

Activity Summary

EC50 2 meas. best 5.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Zinc finger protein mex-5
CHEMBL1293319
EC50 5.92 5.92 1200.0 1
RNA-binding protein pos-1
CHEMBL1293304
EC50 5.64 5.64 2295.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine