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Compound Detail

CHEMBL323208

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O=C(OC1C2CC3CC1N2CC3=O)c1c[nH]c2ccccc12

Basic Information

ChEMBL ID CHEMBL323208
Phase Preclinical
Structure Type MOL
InChI Key OPCCXGXGEHABFP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

296.3
MW (Da)
1.74
ALogP
4
HBA
1
HBD
62.4
PSA (Ų)
0.86
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 C17H16N2O3
MW 296.33
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.57

Activity Summary

Kd 1 meas. best 9.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serotonin (5-HT) receptor
CHEMBL2096904
Kd 9.8 9.8 0.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serotonin (5-HT) receptor Kd = 0.1585 nM 9.8 Potency was evaluated on rabbit heart serotonergic receptors 9464362

Literature References

PubMed DOI Target Context # Activities
9464362 10.1021/jm9705418 Serotonin (5-HT) receptor 1

Data from ChEMBL 36 via Core Engine