Compound Detail
CHEMBL133626
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Basic Information
| ChEMBL ID | CHEMBL133626 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CQLNTEIZHVCHLO-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
418.9
MW (Da)
4.73
ALogP
4
HBA
0
HBD
57.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 8.0 | 7.3333 | 10.0 | 3 |
| MT4 CHEMBL388 | EC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 10.0 | nM | 8.0 | Antiviral activity against HIV1 | 24119448 |
| MT4 | EC50 | = | 100.0 | nM | 7.0 | Dose required to achieve 50% protection of MT-4 cells from HIV-1(IIIB) induced c... | 9767646 |
| Human immunodeficiency virus 1 | EC50 | = | 100.0 | nM | 7.0 | Antiviral activity against HIV1 3B assessed as inhibition of virus-induced cytop... | 17964796 |
| Human immunodeficiency virus 1 | EC50 | = | 100.0 | nM | 7.0 | Antiviral activity against HIV1 3B infected in human MT4 cells assessed as prote... | 24119448 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9767646 | 10.1021/jm9802012 | MT4 | 2 |
| 24119448 | 10.1016/j.bmc.2013.09.009 | Human immunodeficiency virus 1 | 2 |
| 9767646 | 10.1021/jm9802012 | Human immunodeficiency virus 1 | 1 |
| 17964796 | 10.1016/j.bmc.2007.10.013 | Human immunodeficiency virus 1 | 1 |
| 17964796 | 10.1016/j.bmc.2007.10.013 | MT4 | 1 |
| 17964796 | 10.1016/j.bmc.2007.10.013 | Unchecked | 1 |
| 24119448 | 10.1016/j.bmc.2013.09.009 | Unchecked | 1 |
| 24119448 | 10.1016/j.bmc.2013.09.009 | MT4 | 1 |
Data from ChEMBL 36 via Core Engine