Compound Detail
CHEMBL133140
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
CNCc1n[nH]nc1CN1CCOC(O[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1
Basic Information
| ChEMBL ID | CHEMBL133140 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GSEXKIPDORFXEH-IUFPCKGZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
561.5
MW (Da)
5.38
ALogP
6
HBA
2
HBD
75.3
PSA (Ų)
0.36
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | IC50 | 9.54 | 9.54 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | IC50 | = | 0.29 | nM | 9.54 | In vitro inhibition of binding of [125I]-substance P to tachykinin receptor 1 | 11708932 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11708932 | 10.1021/jm0109558 | Substance-P receptor | 1 |
| 11708932 | 10.1021/jm0109558 | Gerbillinae | 1 |
Data from ChEMBL 36 via Core Engine