Compound Detail
CHEMBL2000167
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CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCC(=O)O
Basic Information
| ChEMBL ID | CHEMBL2000167 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VBJGTPSNFOGRFY-WKULSOCRSA-N |
5
Targets
10
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
530.6
MW (Da)
5.49
ALogP
8
HBA
3
HBD
122.1
PSA (Ų)
0.17
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 10 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.96 | 5.96 | 1101.2 | 1 |
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 5.41 | 5.35 | 3928.0 | 2 |
| Tyrosine-protein phosphatase non-receptor type 22 CHEMBL2889 | IC50 | 5.33 | 5.2225 | 4683.0 | 4 |
| Envelope glycoprotein gp160 CHEMBL1293311 | IC50 | 5.14 | 5.14 | 7290.0 | 1 |
| Voltage-gated N-type calcium channel alpha-1B subunit/Amyloid beta A4 precursor protein-binding family A member 1 CHEMBL2097170 | IC50 | 4.96 | 4.635 | 11100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine