Compound Detail
CHEMBL1501743
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N=C1/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)N=C2SC=C(c3ccccc3)N12
Basic Information
| ChEMBL ID | CHEMBL1501743 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NXVLUZVMQGFUFA-SCORJZKRSA-N |
9
Targets
10
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
441.5
MW (Da)
4.95
ALogP
5
HBA
2
HBD
107.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.81
EC50 3 meas. best 6.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 6.13 | 6.13 | 743.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.92 | 5.92 | 1195.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.81 | 5.81 | 1548.2 | 1 |
| G-protein coupled receptor 35 CHEMBL1293267 | IC50 | 5.64 | 5.64 | 2289.3 | 1 |
| Envelope glycoprotein gp160 CHEMBL1293311 | IC50 | 5.18 | 5.18 | 6640.0 | 1 |
| 26S proteasome non-ATPase regulatory subunit 14 CHEMBL2007629 | IC50 | 5.11 | 5.11 | 7840.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.06 | 5.06 | 8786.0 | 1 |
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 5.04 | 5.04 | 9070.0 | 1 |
| Prothrombin CHEMBL4471 | IC50 | 4.8 | 4.8 | 15800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine