Compound Detail
CHEMBL4285275
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CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]4CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)CNC1=O)C(=O)N[C@@H](CO)C(=O)N4)NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@@H](C)CC)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC3=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)N2
Basic Information
| ChEMBL ID | CHEMBL4285275 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LNKLNUAMTRHBLB-CGJDGIRVSA-N |
12
Targets
16
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
3140.7
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 16 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| U-937 CHEMBL612794 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
| HUVEC CHEMBL613979 | IC50 | 6.46 | 6.34 | 350.0 | 2 |
| U-87 MG CHEMBL614247 | IC50 | 6.35 | 5.65 | 450.0 | 3 |
| MM96L CHEMBL614170 | IC50 | 6.19 | 6.19 | 650.0 | 1 |
| HeLa CHEMBL399 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| U-251 CHEMBL615022 | IC50 | 6.1 | 6.1 | 790.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 6.06 | 6.06 | 870.0 | 1 |
| HFF-1 CHEMBL4296427 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| SH-SY5Y CHEMBL614910 | IC50 | 5.67 | 5.59 | 2150.0 | 2 |
| Erythrocyte CHEMBL4296518 | IC50 | 4.44 | 4.44 | 36000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine