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Compound Detail

CHEMBL1519408

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Cc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ncccc23)o1.Cl

Basic Information

ChEMBL ID CHEMBL1519408
Phase Preclinical
Structure Type MOL
InChI Key DLKRCLMWGBCNOC-RSGUCCNWSA-N
Parent Compound CHEMBL1623103
Active Moiety CHEMBL1623103
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

303.3
MW (Da)
3.68
ALogP
4
HBA
1
HBD
78.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14ClN3O2
MW 339.78
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.76

Activity Summary

IC50 3 meas. best 4.76

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Runt-related transcription factor 1/Core-binding factor subunit beta
CHEMBL2093862
IC50 4.76 4.6533 17400.0 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine