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Compound Detail

CHEMBL1532412

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CCN(CC)c1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(OC(C)C)c1

Basic Information

ChEMBL ID CHEMBL1532412
Phase Preclinical
Structure Type MOL
InChI Key OOONRJPGQZXAQI-AQTBWJFISA-N
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

374.5
MW (Da)
5.26
ALogP
4
HBA
1
HBD
64.9
PSA (Ų)
0.57
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26N4O
MW 374.49
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.61

Activity Summary

EC50 4 meas. best 5.4
IC50 2 meas. best 6.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.31 6.31 488.0 1
G-protein coupled receptor 35
CHEMBL1293267
IC50 5.92 5.92 1191.2 1
RNA-binding protein pos-1
CHEMBL1293304
EC50 5.4 5.4 3956.0 1
Zinc finger protein mex-5
CHEMBL1293319
EC50 5.09 5.09 8128.0 1
Unchecked
CHEMBL612545
EC50 4.96 4.955 11089.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine