Compound Detail
CHEMBL339979
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CC(C)(C)CN(Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1)S(C)(=O)=O
Basic Information
| ChEMBL ID | CHEMBL339979 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CFIYEFIAVWETSG-ROJLCIKYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
680.3
MW (Da)
4.24
ALogP
6
HBA
2
HBD
102.1
PSA (Ų)
0.33
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | EC50 | 5.62 | 5.62 | 2400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | EC50 | = | 2400.0 | nM | 5.62 | Agonistic activity measured as inhibition of cAMP accumulation in HEK cells expr... | 14552781 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14552781 | 10.1016/s0960-894x(03)00796-0 | Melanocortin receptor 4 | 2 |
Data from ChEMBL 36 via Core Engine