Compound Detail
CHEMBL403982
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CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)N1CC=CC[C@]2(CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C1=O)C(=O)N[C@@H](CC(C)C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL403982 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GBPLJLAABCAFRW-MGGFNCPWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
869.1
MW (Da)
-0.06
ALogP
10
HBA
12
HBD
335.3
PSA (Ų)
0.03
QED
2
Ro5 Violations
23
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 4.75 | 4.75 | 18000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 18000.0 | nM | 4.75 | Displacement of [3H]neurotensin from pig NTR1 | 18276136 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18276136 | 10.1016/j.bmcl.2008.01.110 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine