Compound Detail
CHEMBL398891
THIOUREA, N-(5-BROMO-2-PYRIDINYL)-N'-(2-(2-CHLORO-3-ETHOXY-6-FLUOROPHENYL)ETHYL)- 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL398891 |
| Name | THIOUREA, N-(5-BROMO-2-PYRIDINYL)-N'-(2-(2-CHLORO-3-ETHOXY-6-FLUOROPHENYL)ETHYL)- |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | DTHZUSMREBJMBT-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
1
Known Names
8
Indications
Molecular Properties
432.8
MW (Da)
4.56
ALogP
3
HBA
2
HBD
46.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Prostatic Neoplasms Prostatic Neoplasms, Castration-Resistant Thymoma Urogenital Neoplasms Biliary Tract Neoplasms Carcinoma, Non-Small-Cell Lung Multiple Myeloma Neoplasms
Activity Summary
IC50 4 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 7.92 | 7.465 | 12.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 12.0 | nM | 7.92 | Inhibition of wild-type HIV-1 Reverse transcriptase. | 10698450 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 12.0 | nM | 7.92 | Tested for the inhibition of wild type HIV-1 (IIIB) RT | 8863804 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 50.0 | nM | 7.3 | Tested for the inhibition of mutant type (Cys181) HIV-1 (IIIB) RT | 8863804 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 190.0 | nM | 6.72 | Tested for the inhibition of mutant type (Ile100) HIV-1 (IIIB) RT | 8863804 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8863804 | 10.1021/jm950639r | Human immunodeficiency virus type 1 reverse transcriptase | 3 |
| 8863804 | 10.1021/jm950639r | MT4 | 3 |
| 12086483 | 10.1021/jm010580q | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 10698450 | 10.1016/s0960-894x(99)00675-7 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 10698450 | 10.1016/s0960-894x(99)00675-7 | Human immunodeficiency virus 1 | 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