Compound Detail
CHEMBL307297
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Basic Information
| ChEMBL ID | CHEMBL307297 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BYARTTHGWGIRGS-UHFFFAOYSA-N |
3
Targets
35
Activities
2
Assay Types
1
PK Parameters
8
Publications
0
Known Names
Molecular Properties
371.2
MW (Da)
3.97
ALogP
6
HBA
2
HBD
100.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 23 meas. best 9.0
EC50 12 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 9.0 | 7.4471 | 1.0 | 7 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 9.0 | 7.2794 | 1.0 | 18 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 8.22 | 7.044 | 6.0 | 5 |
| MT4 CHEMBL388 | EC50 | 8.22 | 7.044 | 6.0 | 5 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1500.0 | ng.hr.mL-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35981459 | 10.1016/j.ejmech.2022.114645 | Human immunodeficiency virus 1 | 8 |
| 15115397 | 10.1021/jm030558s | Human immunodeficiency virus 1 | 7 |
| 11527704 | 10.1016/s0960-894x(01)00411-5 | Human immunodeficiency virus 1 | 5 |
| 11527705 | 10.1016/s0960-894x(01)00412-7 | Human immunodeficiency virus 1 | 5 |
| 15771411 | 10.1021/jm040127p | MT4 | 5 |
| 30223123 | 10.1016/j.ejmech.2018.09.013 | Human immunodeficiency virus type 1 reverse transcriptase | 5 |
| 15771441 | 10.1021/jm049439i | ADMET | 1 |
| 15771441 | 10.1021/jm049439i | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine