Compound Detail
CHEMBL1770734
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1770734 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VLBUERZRFSORRZ-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
164.2
MW (Da)
1.75
ALogP
3
HBA
1
HBD
38.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 3.6
Kd 2 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 4.52 | 4.52 | 30300.0 | 1 |
| Mycobacterium tuberculosis CHEMBL360 | IC50 | 3.6 | 3.52 | 250500.0 | 3 |
| Acid-sensing ion channel 3 CHEMBL5368 | IC50 | 3.44 | 3.44 | 363000.0 | 1 |
| Ubiquitin-conjugating enzyme E2 T CHEMBL4105763 | Kd | 2.89 | 2.89 | 1300000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 30300.0 | nM | 4.52 | Inhibition of Mycobacterium tuberculosis N-terminal His-tagged BioA assessed as ... | 26068403 |
| Mycobacterium tuberculosis | IC50 | = | 250500.0 | nM | 3.6 | Antimycobacterial activity against Mycobacterium tuberculosis H37Rv assessed as ... | 26068403 |
| Mycobacterium tuberculosis | IC50 | = | 303900.0 | nM | 3.52 | Antimycobacterial activity against Mycobacterium tuberculosis H37Rv assessed as ... | 26068403 |
| Acid-sensing ion channel 3 | IC50 | = | 363000.0 | nM | 3.44 | Inhibition of human ASIC3 expressed in HEK293 cells assessed as inhibition of ac... | 21257308 |
| Mycobacterium tuberculosis | IC50 | = | 367600.0 | nM | 3.44 | Antimycobacterial activity against Mycobacterium tuberculosis BioA-UE strain ass... | 26068403 |
| Ubiquitin-conjugating enzyme E2 T | Kd | = | 1300000.0 | nM | 2.89 | Binding affinity to full length N-terminal 6xHis-Smt3 tagged human Ube2T express... | 28437106 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28437106 | 10.1021/acs.jmedchem.7b00147 | Ubiquitin-conjugating enzyme E2 T | 5 |
| 26068403 | 10.1021/acs.jmedchem.5b00092 | Mycobacterium tuberculosis | 3 |
| 26068403 | 10.1021/acs.jmedchem.5b00092 | Unchecked | 2 |
| 21257308 | 10.1016/j.bmcl.2010.12.115 | Acid-sensing ion channel 3 | 1 |
| 28437106 | 10.1021/acs.jmedchem.7b00147 | Ubiquitin-conjugating enzyme E2 D3 | 1 |
Data from ChEMBL 36 via Core Engine