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Compound Detail

CHEMBL1487918

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CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(c3cccc(Cl)c3Cl)C2C1

Basic Information

ChEMBL ID CHEMBL1487918
Phase Preclinical
Structure Type MOL
InChI Key YOLRNVSNNJRUDP-UHFFFAOYSA-N
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

384.3
MW (Da)
3.35
ALogP
5
HBA
1
HBD
100.6
PSA (Ų)
0.80
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 C19H15Cl2N5
MW 384.27
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.76

Activity Summary

EC50 4 meas. best 4.92
IC50 1 meas. best 4.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
G-protein coupled receptor 35
CHEMBL1293267
IC50 4.92 4.92 12010.5 1
Unchecked
CHEMBL612545
EC50 4.92 4.92 11900.0 2
Zinc finger protein mex-5
CHEMBL1293319
EC50 4.87 4.87 13484.0 1
RNA-binding protein pos-1
CHEMBL1293304
EC50 4.84 4.84 14403.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine