Compound Detail
CHEMBL351132
DIMEDAZOL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL351132 |
| Name | DIMEDAZOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LJUQGASMPRMWIW-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
19
Publications
0
Known Names
Molecular Properties
146.2
MW (Da)
2.18
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 1A1 CHEMBL2922 | IC50 | 4.01 | 4.01 | 97000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 1A1 | IC50 | = | 97000.0 | nM | 4.01 | Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats | 7097715 |
| Cytochrome P450 1A1 | IC50 | = | 97723.72 | nM | 4.01 | Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats | 7097715 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7097715 | 10.1021/jm00348a003 | Cytochrome P450 1A1 | 4 |
| 7097715 | 10.1021/jm00348a003 | Cytochrome P450 2B1 | 2 |
| 22225635 | 10.1016/j.bmcl.2011.12.088 | MCF7 | 1 |
| 30822712 | 10.1016/j.ejmech.2019.02.025 | SW480 | 1 |
| 30822712 | 10.1016/j.ejmech.2019.02.025 | A549 | 1 |
| 30822712 | 10.1016/j.ejmech.2019.02.025 | MCF7 | 1 |
| 30822712 | 10.1016/j.ejmech.2019.02.025 | SMMC-7721 | 1 |
| 30822712 | 10.1016/j.ejmech.2019.02.025 | HL-60 | 1 |
| - | 10.1039/C5MD00293A | MCF7 | 1 |
| - | 10.1039/C5MD00293A | SR | 1 |
| - | 10.1039/C5MD00293A | NON-PROTEIN TARGET | 1 |
| - | 10.1039/C5MD00293A | CCRF-CEM | 1 |
| 7120277 | 10.1021/jm00350a002 | Cytochrome P450 2B1 | 1 |
| 22225635 | 10.1016/j.bmcl.2011.12.088 | HCT-116 | 1 |
| 18834112 | 10.1021/jm800656v | Amine oxidase [flavin-containing] B | 1 |
| 18834112 | 10.1021/jm800656v | Amine oxidase [flavin-containing] A | 1 |
| 17379526 | 10.1016/j.bmc.2007.03.010 | Xanthine dehydrogenase/oxidase | 1 |
| 7097715 | 10.1021/jm00348a003 | No relevant target | 1 |
| 7120277 | 10.1021/jm00350a002 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine