Compound Detail
CHEMBL1701224
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O=C(O)COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL1701224 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TXWSATBBJRPVTL-UVHMKAGCSA-N |
9
Targets
18
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
507.0
MW (Da)
5.43
ALogP
7
HBA
3
HBD
112.9
PSA (Ų)
0.21
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 18 meas. best 6.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 22 CHEMBL2889 | IC50 | 6.95 | 6.1775 | 113.0 | 8 |
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 6.71 | 6.71 | 193.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 12 CHEMBL3236 | IC50 | 6.49 | 6.485 | 325.0 | 2 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 6.05 | 6.05 | 886.4 | 1 |
| Dual specificity protein phosphatase 3 CHEMBL2635 | IC50 | 5.89 | 5.745 | 1300.0 | 2 |
| Voltage-gated N-type calcium channel alpha-1B subunit/Amyloid beta A4 precursor protein-binding family A member 1 CHEMBL2097170 | IC50 | 5.0 | 5.0 | 10100.0 | 1 |
| Envelope glycoprotein gp160 CHEMBL1293311 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| Dual specificity protein phosphatase 6 CHEMBL5511 | IC50 | 4.56 | 4.56 | 27300.0 | 1 |
| Hexokinase HKDC1 CHEMBL1741200 | IC50 | 4.48 | 4.48 | 33000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine