Compound Detail
CHEMBL1999630
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Basic Information
| ChEMBL ID | CHEMBL1999630 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QMMIFWYVGNVUCF-YYADALCUSA-N |
13
Targets
17
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
446.5
MW (Da)
4.06
ALogP
5
HBA
2
HBD
112.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 12 meas. best 6.59
EC50 5 meas. best 5.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.59 | 5.65 | 256.7 | 4 |
| Heat shock protein HSP 90-alpha CHEMBL3880 | IC50 | 6.28 | 6.28 | 521.6 | 1 |
| Tyrosyl-DNA phosphodiesterase 2 CHEMBL2169736 | IC50 | 5.85 | 5.85 | 1411.0 | 1 |
| Apoptotic protease-activating factor 1 CHEMBL1795093 | IC50 | 5.8 | 5.8 | 1590.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.78 | 5.78 | 1674.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.72 | 5.72 | 1897.0 | 1 |
| Hexokinase HKDC1 CHEMBL1741200 | IC50 | 5.6 | 5.575 | 2530.0 | 2 |
| Protein RecA CHEMBL1741171 | EC50 | 5.43 | 5.43 | 3670.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.3 | 5.3 | 5012.0 | 1 |
| Cysteine protease ATG4B CHEMBL1741221 | IC50 | 5.23 | 5.23 | 5850.0 | 1 |
| Potassium voltage-gated channel subfamily KQT member 2 CHEMBL5530 | EC50 | 5.02 | 5.02 | 9510.0 | 1 |
| Phospholipase A2 CHEMBL4426 | IC50 | 4.81 | 4.81 | 15400.0 | 1 |
| 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 CHEMBL3964 | IC50 | 4.04 | 4.04 | 90069.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine