Compound Detail
CHEMBL3787079
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CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC1=O
Basic Information
| ChEMBL ID | CHEMBL3787079 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | RIWMWDPZYGSBRN-WXGDXGANSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
961.3
MW (Da)
3.42
ALogP
9
HBA
7
HBD
224.0
PSA (Ų)
0.15
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bone marrow cell CHEMBL4296515 | IC50 | 4.82 | 4.82 | 15300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bone marrow cell | IC50 | = | 15300.0 | nM | 4.82 | Inhibition of RANKL-induced osteoclast differentiation in ICR mouse bone marrow ... | 26923696 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26923696 | 10.1016/j.bmcl.2016.02.040 | ADMET | 1 |
| 26923696 | 10.1016/j.bmcl.2016.02.040 | Bone marrow cell | 1 |
Data from ChEMBL 36 via Core Engine