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Compound Detail

CHEMBL4291559

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CCCC12CC3CC(N)(C1)CC(CO[N+](=O)[O-])(C3)C2

Basic Information

ChEMBL ID CHEMBL4291559
Phase Preclinical
Structure Type MOL
InChI Key NQYRMQARVFBPST-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

268.4
MW (Da)
2.66
ALogP
4
HBA
1
HBD
78.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H24N2O3
MW 268.36
Aromatic Rings 0
Heavy Atoms 19
NP-Likeness 0.19

Activity Summary

EC50 1 meas. best 4.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cerebellar granule neurone
CHEMBL614452
EC50 4.42 4.42 38060.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
30108699 10.1039/C6MD00509H Cerebellar granule neurone 4

Data from ChEMBL 36 via Core Engine