Compound Detail
CHEMBL146735
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
COc1ccc(NC(=O)c2ccc(-c3ccc(-c4nnc(C)o4)cc3C)cc2)cc1N1CCN(C)CC1
Basic Information
| ChEMBL ID | CHEMBL146735 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXLNAYIFEMXTDZ-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
497.6
MW (Da)
5.03
ALogP
7
HBA
1
HBD
83.7
PSA (Ų)
0.40
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.03
Kd 1 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 9.1 | 9.1 | 0.8 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | IC50 | 9.03 | 9.03 | 0.9 | 1 |
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | IC50 | 7.43 | 7.43 | 37.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 0.7943 | nM | 9.1 | pA2 value for the effect in RSV model. | 10669578 |
| 5-hydroxytryptamine receptor 1B | IC50 | = | 0.93 | nM | 9.03 | Inhibition affinity against 5-HT-1B receptor in rat frontal cortex using radio b... | 10669578 |
| 5-hydroxytryptamine receptor 1D | IC50 | = | 37.0 | nM | 7.43 | Inhibition affinity against 5-HT-1D receptor in bovine caudate nucleus using rad... | 10669578 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10669578 | 10.1021/jm990397l | No relevant target | 2 |
| 10669578 | 10.1021/jm990397l | 5-hydroxytryptamine receptor 1D | 1 |
| 10669578 | 10.1021/jm990397l | 5-hydroxytryptamine receptor 1B | 1 |
| 10669578 | 10.1021/jm990397l | 5-hydroxytryptamine receptor 1A | 1 |
| 10669578 | 10.1021/jm990397l | Sodium-dependent serotonin transporter | 1 |
| 10669578 | 10.1021/jm990397l | Unchecked | 1 |
| 10669578 | 10.1021/jm990397l | Serotonin (5-HT) receptor | 1 |
Data from ChEMBL 36 via Core Engine