Compound Detail
CHEMBL5421352
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
Cl.NCCCCN1N=C(CCc2ccc(O)cc2)c2ccc(C(=O)NCCCc3ccccc3)cc2N(Cc2ccc(-c3ccccc3)cc2)C1=O
Basic Information
| ChEMBL ID | CHEMBL5421352 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BPJZBJSKRCTGHO-UHFFFAOYSA-N |
| Parent Compound | CHEMBL5499508 |
| Active Moiety | CHEMBL5499508 |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
679.9
MW (Da)
7.94
ALogP
5
HBA
3
HBD
111.3
PSA (Ų)
0.10
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 8.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aorta CHEMBL613606 | EC50 | 8.99 | 8.69 | 1.0 | 2 |
| Guanine nucleotide-binding protein G(q) subunit alpha CHEMBL3286079 | EC50 | 8.23 | 7.98 | 5.9 | 2 |
| Unchecked CHEMBL612545 | EC50 | 7.66 | 7.66 | 21.9 | 1 |
| Beta-arrestin-1 CHEMBL1795088 | EC50 | 6.76 | 6.76 | 173.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aorta | EC50 | = | 1.023 | nM | 8.99 | Ex vivo modulatory effect on hUII-induced contractile activity in Sprague-Dawley... | 37800680 |
| Aorta | EC50 | = | 4.074 | nM | 8.39 | Ex vivo modulatory effect on URP-induced contractile activity in Sprague-Dawley ... | 37800680 |
| Guanine nucleotide-binding protein G(q) subunit alpha | EC50 | = | 5.888 | nM | 8.23 | Antagonist activity at hUII-activated RLucII-tagged Galpha-q (unknown origin) ex... | 37800680 |
| Guanine nucleotide-binding protein G(q) subunit alpha | EC50 | = | 18.62 | nM | 7.73 | Antagonist activity at URP-activated RLucII-tagged Galpha-q (unknown origin) exp... | 37800680 |
| Unchecked | EC50 | = | 21.88 | nM | 7.66 | Agonist activity at RLucII-tagged Galpha-13 (unknown origin) expressed in HEK293... | 37800680 |
| Beta-arrestin-1 | EC50 | = | 173.78 | nM | 6.76 | Agonist activity at RLucII/GFP10-tagged beta-arrestin-1 (unknown origin) recruit... | 37800680 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37800680 | 10.1021/acs.jmedchem.3c01307 | Unchecked | 5 |
| 37800680 | 10.1021/acs.jmedchem.3c01307 | Guanine nucleotide-binding protein G(q) subunit alpha | 4 |
| 37800680 | 10.1021/acs.jmedchem.3c01307 | Aorta | 4 |
| 37800680 | 10.1021/acs.jmedchem.3c01307 | Beta-arrestin-1 | 2 |
Data from ChEMBL 36 via Core Engine