Compound Detail
CHEMBL387875
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CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1OC(=O)c1ccccc1O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL387875 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPZGCJZIVBIZCL-ZQWQDMLBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
917.0
MW (Da)
2.04
ALogP
10
HBA
11
HBD
312.8
PSA (Ų)
0.01
QED
2
Ro5 Violations
23
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| KiSS-1 receptor CHEMBL5413 | EC50 | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| KiSS-1 receptor | EC50 | = | 3.0 | nM | 8.52 | Agonist activity at GPR54 expressed in CHO cells assessed as intracellular calci... | 17579384 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17579384 | 10.1021/jm070064l | KiSS-1 receptor | 3 |
Data from ChEMBL 36 via Core Engine