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Compound Detail

CHEMBL178291

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O=C(N[C@H]1CN2CCC1CC2)c1ccc([N+](=O)[O-])cc1

Basic Information

ChEMBL ID CHEMBL178291
Phase Preclinical
Structure Type MOL
InChI Key ZPGXFKKACMYBDC-ZDUSSCGKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

275.3
MW (Da)
1.42
ALogP
4
HBA
1
HBD
75.5
PSA (Ų)
0.67
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 C14H17N3O3
MW 275.31
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.90

Activity Summary

EC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 1000.0 nM 6.0 Agonistic activity against Nicotinic acetylcholine receptor alpha-7 - 5-hydroxyt... 15715459

Literature References

PubMed DOI Target Context # Activities
15715459 10.1021/jm049363q Unchecked 1

Data from ChEMBL 36 via Core Engine