Compound Detail
CHEMBL144509
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CCC1(CCC/C=C(\c2cc(Cl)c(OC)c(C=O)c2)c2cc(Cl)c(OC)c(CO)c2)OCCO1
Basic Information
| ChEMBL ID | CHEMBL144509 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OEZLWOHTAGPGPF-QPSGOUHRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
509.4
MW (Da)
6.07
ALogP
6
HBA
1
HBD
74.2
PSA (Ų)
0.29
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 4.5 | 4.5 | 31600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 31600.0 | nM | 4.5 | Inhibition of HIV-1 Reverse transcriptase using poly-(rc)-oligo(dg) as the templ... | 10579849 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10579849 | 10.1021/jm990343b | Human immunodeficiency virus type 1 reverse transcriptase | 2 |
| 10579849 | 10.1021/jm990343b | CEM-SS | 1 |
| 10579849 | 10.1021/jm990343b | CCRF-CEM | 1 |
Data from ChEMBL 36 via Core Engine