Compound Detail
CHEMBL2371452
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CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL2371452 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | UPLHTJAFXVBFBO-NEUNGJOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
970.1
MW (Da)
0.21
ALogP
11
HBA
12
HBD
358.2
PSA (Ų)
0.02
QED
3
Ro5 Violations
25
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | Kd | 6.7 | 6.7 | 199.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | Kd | = | 199.53 | nM | 6.7 | Compound was tested for antagonist activity in rat isolated uterus assay; pA2 is... | 4009600 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 4009600 | 10.1021/jm00383a015 | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine