Compound Detail
CHEMBL145709
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Basic Information
| ChEMBL ID | CHEMBL145709 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNZLMIJCCHZKKA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
264.4
MW (Da)
2.07
ALogP
4
HBA
2
HBD
49.8
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 6.0 | 6.0 | 1000.0 | 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 | = | 200.0 | nM | 6.7 | Inhibition of HIV-1 reverse transcriptase using rCdG as template and dGTP as sub... | 8523406 |
| Human immunodeficiency virus 1 | IC50 | = | 1000.0 | nM | 6.0 | Tested for the ability to inhibit the replication of HIV-1 strain HTLV IIIB in h... | 11229762 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8523406 | 10.1021/jm00025a010 | Human immunodeficiency virus type 1 reverse transcriptase | 3 |
| 11229762 | 10.1016/s0960-894x(01)00011-7 | Human immunodeficiency virus 1 | 2 |
| 11229762 | 10.1016/s0960-894x(01)00011-7 | ADMET | 1 |
| 17307357 | 10.1016/j.bmcl.2007.01.103 | Human immunodeficiency virus 1 | 1 |
| - | 10.1007/s00044-007-9087-7 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine