Compound Detail
CHEMBL232801
AMITROLE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL232801 |
| Name | AMITROLE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLSJWNVTNUYHDU-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
84.1
MW (Da)
-0.61
ALogP
3
HBA
2
HBD
67.6
PSA (Ų)
0.44
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
| Nicotiana tabacum CHEMBL613059 | IC50 | 4.17 | 4.155 | 68000.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 170.0 | nM | 6.77 | Compound concentration required to reduce HIV-1 Integrase 3'-processing activity... | 9767632 |
| Nicotiana tabacum | IC50 | = | 68000.0 | nM | 4.17 | Inhibition of colored carotenoid formation in Nicotiana tabacum (tobacco) | - |
| Nicotiana tabacum | IC50 | = | 72000.0 | nM | 4.14 | Inhibition of colored carotenoid formation in transgenic Nicotiana tabacum (toba... | - |
| Unchecked | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of bacterial glucosamine-6-phosphate synthase by colorimetric morgan-... | 17291748 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7265110 | 10.1021/jm00135a003 | Rattus norvegicus | 5 |
| - | 10.1016/S0960-894X(00)80359-5 | Rattus norvegicus | 4 |
| - | 10.1584/jpestics.21.473 | Nicotiana tabacum | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 9767632 | 10.1021/jm9707232 | Human immunodeficiency virus type 1 integrase | 1 |
| 9767632 | 10.1021/jm9707232 | MT4 | 1 |
| 9767632 | 10.1021/jm9707232 | KB | 1 |
| 9767632 | 10.1021/jm9707232 | ADMET | 1 |
| 17291748 | 10.1016/j.bmcl.2007.01.052 | Unchecked | 1 |
| 18834112 | 10.1021/jm800656v | Amine oxidase [flavin-containing] A | 1 |
| 18834112 | 10.1021/jm800656v | Amine oxidase [flavin-containing] B | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine