Compound Detail
CHEMBL1536896
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CCOC(=O)c1sc2nc3c(SCCC(=O)O)cc(C(=O)c4cc(OC)ccc4O)cn3c(=O)c2c1C
Basic Information
| ChEMBL ID | CHEMBL1536896 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WBNVGVTYQBOUQG-UHFFFAOYSA-N |
11
Targets
17
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
542.6
MW (Da)
3.91
ALogP
11
HBA
2
HBD
144.5
PSA (Ų)
0.18
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 17 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 6.68 | 6.23 | 209.0 | 2 |
| Dual specificity protein phosphatase 3 CHEMBL2635 | IC50 | 6.32 | 5.84 | 480.0 | 3 |
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 5.98 | 5.98 | 1040.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.91 | 5.91 | 1237.1 | 1 |
| Tyrosine-protein phosphatase non-receptor type 22 CHEMBL2889 | IC50 | 5.7 | 5.42 | 2020.0 | 2 |
| NS3 CHEMBL1293269 | IC50 | 5.59 | 5.59 | 2583.0 | 1 |
| 26S proteasome non-ATPase regulatory subunit 14 CHEMBL2007629 | IC50 | 5.09 | 5.09 | 8130.0 | 1 |
| Voltage-gated N-type calcium channel alpha-1B subunit/Amyloid beta A4 precursor protein-binding family A member 1 CHEMBL2097170 | IC50 | 5.09 | 4.765 | 8150.0 | 2 |
| Envelope glycoprotein gp160 CHEMBL1293311 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
| Dual specificity protein phosphatase 6 CHEMBL5511 | IC50 | 4.22 | 4.22 | 59533.0 | 1 |
| Prothrombin CHEMBL4471 | IC50 | 4.14 | 4.14 | 72500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine