Compound Detail
CHEMBL221137
EMBELIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL221137 |
| Name | EMBELIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IRSFLDGTOHBADP-UHFFFAOYSA-N |
585
Targets
712
Activities
3
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
294.4
MW (Da)
4.31
ALogP
4
HBA
2
HBD
74.6
PSA (Ų)
0.46
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 694 meas. best 7.22
EC50 15 meas. best 7.05
Ki 3 meas. best 7.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 84 CHEMBL3714079 | Ki | 7.63 | 7.63 | 23.6 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 7.22 | 6.265 | 60.0 | 6 |
| G-protein coupled receptor 84 CHEMBL3714079 | EC50 | 7.05 | 6.2427 | 89.0 | 11 |
| Unchecked CHEMBL612545 | Ki | 6.72 | 6.72 | 190.0 | 1 |
| Prostaglandin E synthase CHEMBL5658 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Macrophage-expressed gene 1 protein CHEMBL3414409 | IC50 | 6.68 | 6.68 | 210.0 | 2 |
| E3 ubiquitin-protein ligase XIAP CHEMBL4198 | Ki | 6.4 | 6.4 | 400.0 | 1 |
| SIG-M5 CHEMBL2366251 | IC50 | 5.88 | 5.88 | 1310.6 | 1 |
| A549 CHEMBL392 | IC50 | 5.83 | 5.83 | 1470.0 | 1 |
| HCT-8 CHEMBL613510 | IC50 | 5.83 | 5.83 | 1490.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.8 | 5.8 | 1576.0 | 1 |
| NTERA-2-cl-D1 CHEMBL614206 | IC50 | 5.8 | 5.8 | 1596.2 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.78 | 5.78 | 1671.0 | 1 |
| Bel-7402 CHEMBL614279 | IC50 | 5.78 | 5.78 | 1660.0 | 1 |
| BGC-823 CHEMBL614526 | IC50 | 5.77 | 5.77 | 1690.0 | 1 |
| UACC-62 CHEMBL614610 | IC50 | 5.76 | 5.76 | 1747.7 | 1 |
| SF-295 CHEMBL614908 | IC50 | 5.76 | 5.76 | 1754.8 | 1 |
| A2780 CHEMBL614004 | IC50 | 5.75 | 5.315 | 1790.0 | 2 |
| RKO CHEMBL614879 | IC50 | 5.7 | 5.7 | 2006.8 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.68 | 5.5367 | 2100.0 | 3 |
| IA-LM CHEMBL2366366 | IC50 | 5.65 | 5.65 | 2226.5 | 1 |
| A2058 CHEMBL613503 | IC50 | 5.63 | 5.63 | 2321.8 | 1 |
| HuTu80 CHEMBL614582 | IC50 | 5.63 | 5.63 | 2354.4 | 1 |
| PA-1 CHEMBL614949 | IC50 | 5.63 | 5.63 | 2321.8 | 1 |
| C32 CHEMBL1075401 | IC50 | 5.55 | 5.55 | 2825.8 | 1 |
| NCI-H2122 CHEMBL1075533 | IC50 | 5.55 | 5.55 | 2810.1 | 1 |
| MC116 CHEMBL2366256 | IC50 | 5.55 | 5.55 | 2818.2 | 1 |
| CCRF-CEM CHEMBL382 | IC50 | 5.52 | 5.52 | 3016.2 | 1 |
| CHP-212 CHEMBL1075423 | IC50 | 5.51 | 5.51 | 3121.5 | 1 |
| No relevant target CHEMBL2362975 | IC50 | 5.51 | 5.51 | 3120.0 | 2 |
| D-542MG CHEMBL2366208 | IC50 | 5.5 | 5.5 | 3126.3 | 1 |
| KGN CHEMBL2366154 | IC50 | 5.49 | 5.49 | 3217.7 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.48 | 5.48 | 3319.0 | 1 |
| KE-37 CHEMBL2366287 | IC50 | 5.46 | 5.46 | 3443.9 | 1 |
| 8-MG-BA CHEMBL2366115 | IC50 | 5.45 | 5.45 | 3532.1 | 1 |
| A-375 CHEMBL613859 | IC50 | 5.45 | 5.45 | 3572.5 | 1 |
| S-117 CHEMBL1075568 | IC50 | 5.44 | 5.44 | 3629.6 | 1 |
| GT3TKB CHEMBL2366148 | IC50 | 5.44 | 5.44 | 3619.9 | 1 |
| ALL-PO CHEMBL2366294 | IC50 | 5.44 | 5.44 | 3646.6 | 1 |
| PC-3 CHEMBL390 | IC50 | 5.43 | 5.23 | 3700.0 | 3 |
| GI-1 CHEMBL2366272 | IC50 | 5.42 | 5.42 | 3763.5 | 1 |
| NH-12 CHEMBL2366263 | IC50 | 5.41 | 5.41 | 3881.5 | 1 |
| COLO 205 CHEMBL614561 | IC50 | 5.41 | 5.41 | 3867.4 | 1 |
| LoVo CHEMBL614721 | IC50 | 5.41 | 5.41 | 3868.9 | 1 |
| SAOS-2 CHEMBL614894 | IC50 | 5.4 | 5.4 | 3945.3 | 1 |
| E3 ubiquitin-protein ligase XIAP CHEMBL4198 | IC50 | 5.39 | 5.39 | 4100.0 | 3 |
| RPMI 8402 CHEMBL612517 | IC50 | 5.39 | 5.39 | 4054.4 | 1 |
| DMS-273 CHEMBL614034 | IC50 | 5.39 | 5.39 | 4059.4 | 1 |
| COLO-679 CHEMBL1075426 | IC50 | 5.38 | 5.38 | 4197.9 | 1 |
| H4 CHEMBL1075452 | IC50 | 5.38 | 5.38 | 4131.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine