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Compound Detail

CHEMBL142279

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Clc1ncc([C@H]2CC3CCC2N3)cc1Br

Basic Information

ChEMBL ID CHEMBL142279
Phase Preclinical
Structure Type MOL
InChI Key SWSZAZYKMMORJZ-CCNFQMFXSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

287.6
MW (Da)
3.11
ALogP
2
HBA
1
HBD
24.9
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 C11H12BrClN2
MW 287.59
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 0.98

Activity Summary

Ki 1 meas. best 10.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 10.89 10.89 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 0.013 nM 10.89 Inhibition of [3H]- epibatidine binding at the Nicotinic acetylcholine receptor ... 12361403

Literature References

PubMed DOI Target Context # Activities
12361403 10.1021/jm0202268 Rattus norvegicus 3
12361403 10.1021/jm0202268 Unchecked 1

Data from ChEMBL 36 via Core Engine