Compound Detail
CHEMBL69952
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Basic Information
| ChEMBL ID | CHEMBL69952 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OJYPMRCJFGEHKN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
343.3
MW (Da)
2.62
ALogP
3
HBA
2
HBD
40.2
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | IC50 | = | 1.0 | nM | 9.0 | Ability to inhibit the replication of HTLV IIIb strain of HIV-1 p24 antigen prod... | 10617082 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 600.0 | nM | 6.22 | Inhibition of recombinant reverse transcriptase (RT) in cell-free Quan-T-RT assa... | 10617082 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10617082 | 10.1016/s0960-894x(99)00624-1 | ADMET | 5 |
| 9873515 | 10.1016/s0960-894x(98)00384-9 | ADMET | 2 |
| 9873515 | 10.1016/s0960-894x(98)00384-9 | Unchecked | 1 |
| 10617082 | 10.1016/s0960-894x(99)00624-1 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine