Compound Detail
CHEMBL4633593
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CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL4633593 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TYUDOPVEMCACJG-LBBUGJAGSA-N |
2
Targets
19
Activities
2
Assay Types
2
PK Parameters
15
Publications
0
Known Names
Molecular Properties
967.1
MW (Da)
-2.87
ALogP
12
HBA
18
HBD
443.9
PSA (Ų)
0.02
QED
3
Ro5 Violations
30
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 12 meas. best 6.98
Ki 7 meas. best 8.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 4 CHEMBL4877 | Ki | 8.47 | 8.462 | 3.4 | 5 |
| Neuropeptide Y receptor type 4 CHEMBL4877 | EC50 | 6.98 | 6.84 | 104.7 | 12 |
| P2Y purinoceptor 1 CHEMBL4315 | Ki | 5.93 | 5.93 | 1174.9 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 2.0 | hr | Homo sapiens |
| T1/2 | 1.4 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine