Compound Detail
CHEMBL298634
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N=C(N)NCCC[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O
Basic Information
| ChEMBL ID | CHEMBL298634 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | BSZVFFGMTYXESK-OVHUPFAXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
740.8
MW (Da)
-1.63
ALogP
8
HBA
11
HBD
281.0
PSA (Ų)
0.05
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 1200.0 | nM | 5.92 | Activity expressed as EC50 was measured in frog. | 7752197 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7752197 | 10.1021/jm00010a018 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine