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Compound Detail

CHEMBL1365898

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CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(Cl)c3)C2C1

Basic Information

ChEMBL ID CHEMBL1365898
Phase Preclinical
Structure Type MOL
InChI Key YIHOMAXYJIKXIL-ZYMOGRSISA-N
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

349.8
MW (Da)
2.70
ALogP
5
HBA
1
HBD
100.6
PSA (Ų)
0.84
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16ClN5
MW 349.83
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -0.75

Activity Summary

EC50 4 meas. best 5.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 5.09 5.065 8140.0 2
Zinc finger protein mex-5
CHEMBL1293319
EC50 4.94 4.94 11560.0 1
RNA-binding protein pos-1
CHEMBL1293304
EC50 4.9 4.9 12499.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine