Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL1907770

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
COc1cc(N)c(Cl)cc1C(=O)N[C@]12CN3CCC1C2C3

Basic Information

ChEMBL ID CHEMBL1907770
Phase Preclinical
Structure Type MOL
InChI Key VQZUPPBUGNMRJI-HKJQSTPSSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

307.8
MW (Da)
1.36
ALogP
4
HBA
2
HBD
67.6
PSA (Ų)
0.83
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 C15H18ClN3O2
MW 307.78
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.36

Activity Summary

Ki 1 meas. best 9.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serotonin 3 (5-HT3) receptor
CHEMBL2094116
Ki 9.64 9.64 0.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serotonin 3 (5-HT3) receptor Ki = 0.23 nM 9.64 Inhibition of [3H]GR-65630 binding to 5-hydroxytryptamine 3 receptor 1573641

Literature References

PubMed DOI Target Context # Activities
1573641 10.1021/jm00086a019 5-hydroxytryptamine receptor 4 1
1573641 10.1021/jm00086a019 Serotonin 3 (5-HT3) receptor 1
1573641 10.1021/jm00086a019 Unchecked 1
1573641 10.1021/jm00086a019 Serotonin 1 (5-HT1) receptor 1
1573641 10.1021/jm00086a019 Serotonin 2 (5-HT2) receptor 1
1573641 10.1021/jm00086a019 D(1A) dopamine receptor 1
1573641 10.1021/jm00086a019 D(2) dopamine receptor 1
1573641 10.1021/jm00086a019 Alpha-1A adrenergic receptor 1
1573641 10.1021/jm00086a019 Adrenergic receptor alpha-2 1
1573641 10.1021/jm00086a019 Adrenergic receptor beta 1

Data from ChEMBL 36 via Core Engine