Compound Detail
CHEMBL5424856
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
Basic Information
| ChEMBL ID | CHEMBL5424856 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTQKBROURKZUNY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
258.2
MW (Da)
2.92
ALogP
5
HBA
4
HBD
94.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calcitonin gene-related peptide type 1 receptor CHEMBL3798 | IC50 | 5.56 | 5.56 | 2772.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 4.25 | 4.25 | 56000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calcitonin gene-related peptide type 1 receptor | IC50 | = | 2772.0 | nM | 5.56 | Inhibition of human CGRP1 | 36463729 |
| HT-29 | IC50 | = | 56000.0 | nM | 4.25 | Cytotoxicity against human HT-29 cells incubated for 24 hrs by MTT assay | 36463729 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36463729 | 10.1016/j.ejmech.2022.114962 | HCT cell line | 3 |
| 36463729 | 10.1016/j.ejmech.2022.114962 | COLO 320 | 3 |
| 36463729 | 10.1016/j.ejmech.2022.114962 | SNU-C1 | 3 |
| 36463729 | 10.1016/j.ejmech.2022.114962 | Calcitonin gene-related peptide type 1 receptor | 3 |
| 36463729 | 10.1016/j.ejmech.2022.114962 | HCT-116 | 2 |
| 36463729 | 10.1016/j.ejmech.2022.114962 | HT-29 | 1 |
| 36463729 | 10.1016/j.ejmech.2022.114962 | No relevant target | 1 |
| 36463729 | 10.1016/j.ejmech.2022.114962 | RKO | 1 |
Data from ChEMBL 36 via Core Engine