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Compound Detail

CHEMBL1711260

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Clc1ccc(C=Cc2ccccn2)cc1

Basic Information

ChEMBL ID CHEMBL1711260
Phase Preclinical
Structure Type MOL
InChI Key KSRMKBJYFVLXQU-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

215.7
MW (Da)
3.91
ALogP
1
HBA
0
HBD
12.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H10ClN
MW 215.68
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -1.20

Activity Summary

IC50 2 meas. best 5.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein skinhead-1
CHEMBL2146298
IC50 5.24 5.11 5710.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine