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Compound Detail

CHEMBL356567

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COc1ccc2[nH]ccc2c1C(=O)NC1CN2CCC1CC2

Basic Information

ChEMBL ID CHEMBL356567
Phase Preclinical
Structure Type MOL
InChI Key HMOMXYPGOQVVIY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

299.4
MW (Da)
2.00
ALogP
3
HBA
2
HBD
57.4
PSA (Ų)
0.91
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 C17H21N3O2
MW 299.37
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.25

Activity Summary

Kd 1 meas. best 7.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serotonin 3 (5-HT3) receptor
CHEMBL2094132
Kd 7.2 7.2 63.1 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80170-5 5-hydroxytryptamine receptor 4 2
- 10.1016/S0960-894X(00)80170-5 Serotonin 3 (5-HT3) receptor 1

Data from ChEMBL 36 via Core Engine