Compound Detail
CHEMBL1058
DESCHLOROBENZOYL INDOMETHACIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1058 |
| Name | DESCHLOROBENZOYL INDOMETHACIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TXWGINUZLBAKDF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
219.2
MW (Da)
2.11
ALogP
2
HBA
2
HBD
62.3
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member C2 CHEMBL5847 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member C2 | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of human recombinant AKR1C2-mediated NADP+-dependent oxidation of S-(... | 23432095 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12182852 | 10.1016/s0960-894x(02)00505-x | Molecular identity unknown | 1 |
| 12182852 | 10.1016/s0960-894x(02)00505-x | V79 | 1 |
| 17481907 | 10.1016/j.bmc.2007.04.005 | No relevant target | 1 |
| 17481907 | 10.1016/j.bmc.2007.04.005 | Albumin | 1 |
| 23432095 | 10.1021/jm3017656 | Aldo-keto reductase family 1 member C2 | 1 |
| 23432095 | 10.1021/jm3017656 | Aldo-keto reductase family 1 member C3 | 1 |
Data from ChEMBL 36 via Core Engine