Compound Detail
CHEMBL5483013
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
CC1(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)OCc2ccccc2-n2cccc21.O=C(O)/C=C/C(=O)O
Basic Information
| ChEMBL ID | CHEMBL5483013 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NGODOSILXOFQPH-WLHGVMLRSA-N |
| Parent Compound | CHEMBL1474352 |
| Active Moiety | CHEMBL1474352 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
428.5
MW (Da)
4.20
ALogP
5
HBA
1
HBD
55.2
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bombesin receptor subtype-3 CHEMBL4080 | EC50 | 6.62 | 6.62 | 240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bombesin receptor subtype-3 | EC50 | = | 240.0 | nM | 6.62 | Effective concentration required against human bombesin receptor 3 (BRS-3) in CH... | 12723954 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 12723954 | 10.1021/jm0210921 | Neuromedin-B receptor | 1 |
| 12723954 | 10.1021/jm0210921 | Gastrin-releasing peptide receptor | 1 |
| 12723954 | 10.1021/jm0210921 | Bombesin receptor subtype-3 | 1 |
| 12723954 | 10.1021/jm0210921 | ADMET | 1 |
| 12723954 | 10.1021/jm0210921 | No relevant target | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine