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Compound Detail

CHEMBL350489

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Nc1ccc2c3c(cccc13)C(=O)N([C@@H]1CN3CCC1CC3)C2=O

Basic Information

ChEMBL ID CHEMBL350489
Phase Preclinical
Structure Type MOL
InChI Key GGQMXMGHFNPCQV-MRXNPFEDSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

321.4
MW (Da)
2.11
ALogP
4
HBA
1
HBD
66.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19N3O2
MW 321.38
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.08

Activity Summary

Ki 2 meas. best 7.63

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serotonin 3 (5-HT3) receptor
CHEMBL2094116
Ki 7.63 7.63 23.5 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80269-9 Serotonin 3 (5-HT3) receptor 1
- 10.1016/S0960-894X(00)80392-3 Serotonin 3 (5-HT3) receptor 1
- 10.1016/S0960-894X(00)80392-3 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine