Compound Detail
CHEMBL2397513
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CC[C@H](C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O
Basic Information
| ChEMBL ID | CHEMBL2397513 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WQVJHHACXVLGBL-CTMZAJDNSA-N |
2
Targets
3
Activities
2
Assay Types
1
PK Parameters
20
Publications
0
Known Names
Molecular Properties
1203.5
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.07
Kd 1 meas. best 6.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LSD1/CoREST complex CHEMBL3137262 | Kd | 6.33 | 6.33 | 463.0 | 1 |
| J774.1 CHEMBL4296442 | IC50 | 5.07 | 5.07 | 8500.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 12.54 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LSD1/CoREST complex | Kd | = | 463.0 | nM | 6.33 | Binding affinity to LSD1/CoREST (unknown origin) expressed in Escherichia coli | 33479691 |
| J774.1 | IC50 | = | 8500.0 | nM | 5.07 | Antiinflammatory activity in mouse J774.1 cells assessed as inhibition of LPS/TN... | 28836430 |
Literature References
Data from ChEMBL 36 via Core Engine