Compound Detail
CHEMBL1699206
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O=C(N/N=C/c1ccc(-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)o1)c1cc2ccccc2cc1O
Basic Information
| ChEMBL ID | CHEMBL1699206 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RUMPAMJMDBPTGC-MUFRIFMGSA-N |
9
Targets
11
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
513.5
MW (Da)
4.16
ALogP
8
HBA
3
HBD
146.8
PSA (Ų)
0.22
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 11 meas. best 5.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.79 | 5.79 | 1632.8 | 1 |
| SUMO-activating enzyme CHEMBL2095174 | IC50 | 5.66 | 5.285 | 2210.0 | 2 |
| Envelope glycoprotein gp160 CHEMBL1293311 | IC50 | 5.27 | 5.27 | 5360.0 | 1 |
| Cysteine protease ATG4B CHEMBL1741221 | IC50 | 5.22 | 5.22 | 5980.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.94 | 4.855 | 11400.0 | 2 |
| Phospholipase A2 CHEMBL4426 | IC50 | 4.69 | 4.69 | 20300.0 | 1 |
| 26S proteasome non-ATPase regulatory subunit 14 CHEMBL2007629 | IC50 | 4.48 | 4.48 | 33300.0 | 1 |
| Aminopeptidase N CHEMBL4117 | IC50 | 4.37 | 4.37 | 42330.0 | 1 |
| Prothrombin CHEMBL4471 | IC50 | 4.12 | 4.12 | 75600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine