Compound Detail
CHEMBL313989
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Basic Information
| ChEMBL ID | CHEMBL313989 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QLGKDEPKENNHHT-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
297.4
MW (Da)
4.50
ALogP
3
HBA
1
HBD
42.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.85
IC50 1 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.85 | 5.85 | 1400.0 | 1 |
| MT4 CHEMBL388 | EC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Tubulin CHEMBL2095182 | IC50 | 5.36 | 5.36 | 4400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MT4 | EC50 | = | 1400.0 | nM | 5.85 | Protection of infected MT-4 cells from wtIIIB-HIV-1-induced cytopathogenicity | 15634015 |
| Human immunodeficiency virus 1 | EC50 | = | 1400.0 | nM | 5.85 | Antiviral activity against HIV1 | 16722636 |
| Tubulin | IC50 | = | 4400.0 | nM | 5.36 | Inhibition of tubulin polymerization | 15566282 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15566282 | 10.1021/jm049360d | Tubulin | 2 |
| 12773052 | 10.1021/jm0211063 | MT4 | 1 |
| 12773052 | 10.1021/jm0211063 | Human immunodeficiency virus 1 | 1 |
| 15634015 | 10.1021/jm040854k | MT4 | 1 |
| 16722636 | 10.1021/jm0512490 | Human immunodeficiency virus 1 | 1 |
| 15566282 | 10.1021/jm049360d | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine