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Compound Detail

CHEMBL14537

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Cc1cc([C@@H]2C[C@@H](CO)CN2C)on1

Basic Information

ChEMBL ID CHEMBL14537
Phase Preclinical
Structure Type MOL
InChI Key AZBOTYZVVSPOGY-BDAKNGLRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

196.2
MW (Da)
0.97
ALogP
4
HBA
1
HBD
49.5
PSA (Ų)
0.77
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 C10H16N2O2
MW 196.25
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.32

Activity Summary

Ki 1 meas. best 5.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 5.18 5.18 6646.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 6646.0 nM 5.18 Displacement of [3H](-)-cytisine from rat brain nicotinic acetylcholine receptor... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00183-T Unchecked 1

Data from ChEMBL 36 via Core Engine