Compound Detail
CHEMBL19240
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Basic Information
| ChEMBL ID | CHEMBL19240 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QEEXKPYVMOIPKR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
190.2
MW (Da)
2.12
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 17-beta-hydroxysteroid dehydrogenase type 3 CHEMBL4234 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 17-beta-hydroxysteroid dehydrogenase type 3 | IC50 | = | 210.0 | nM | 6.68 | Inhibition of human 17beta-HSD3 expressed in HeLa cells | 19954971 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21680063 | 10.1016/j.ejmech.2011.05.052 | J774 | 10 |
| 11543689 | 10.1021/jm010894d | Acetylcholinesterase | 2 |
| - | 10.1016/S0960-894X(01)80328-0 | Amine oxidase [flavin-containing] A | 1 |
| - | 10.1016/S0960-894X(01)80328-0 | Amine oxidase [flavin-containing] B | 1 |
| 11123983 | 10.1021/jm001028o | Amine oxidase [flavin-containing] A | 1 |
| 11123983 | 10.1021/jm001028o | Amine oxidase [flavin-containing] B | 1 |
| 11543689 | 10.1021/jm010894d | Amine oxidase [flavin-containing] A | 1 |
| 11543689 | 10.1021/jm010894d | Amine oxidase [flavin-containing] B | 1 |
| 19954971 | 10.1016/j.bmcl.2009.10.111 | 17-beta-hydroxysteroid dehydrogenase type 3 | 1 |
| 21680063 | 10.1016/j.ejmech.2011.05.052 | Transcription factor p65 | 1 |
Data from ChEMBL 36 via Core Engine