Compound Detail
CHEMBL1580684
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O=C(CN1C(=O)/C(=C2\SC(=S)N(CCS(=O)(=O)O)C2=O)c2ccccc21)Nc1cccc(Br)c1
Basic Information
| ChEMBL ID | CHEMBL1580684 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IQWKHNPYLCUEJX-ZCXUNETKSA-N |
7
Targets
8
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
582.5
MW (Da)
2.89
ALogP
7
HBA
2
HBD
124.1
PSA (Ų)
0.30
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.7
EC50 1 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.7 | 5.7 | 1996.0 | 1 |
| Dual specificity protein phosphatase 3 CHEMBL2635 | IC50 | 5.44 | 5.375 | 3650.0 | 2 |
| Protein RecA CHEMBL1741171 | EC50 | 5.12 | 5.12 | 7590.0 | 1 |
| Voltage-gated N-type calcium channel alpha-1B subunit/Amyloid beta A4 precursor protein-binding family A member 1 CHEMBL2097170 | IC50 | 5.02 | 5.02 | 9590.0 | 1 |
| Envelope glycoprotein gp160 CHEMBL1293311 | IC50 | 5.01 | 5.01 | 9810.0 | 1 |
| Dual specificity protein phosphatase 6 CHEMBL5511 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
| C-C chemokine receptor type 6 CHEMBL4423 | IC50 | 4.4 | 4.4 | 39600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine