Compound Detail
CHEMBL238685
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Basic Information
| ChEMBL ID | CHEMBL238685 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RMTVCPHZBBRRKO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
3
PK Parameters
5
Publications
0
Known Names
Molecular Properties
291.3
MW (Da)
-0.75
ALogP
6
HBA
1
HBD
91.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.18
Target Activity Profile
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 30491.42 | ng.hr.mL-1 | Mus musculus |
| Cmax | 159900.0 | nM | Mus musculus |
| T1/2 | 0.275 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SiHa | IC50 | = | 6600.0 | nM | 5.18 | Cytotoxicity against human SiHa cells under hypoxic conditions after 4 hrs | 18001018 |
| HT-29 | IC50 | = | 17300.0 | nM | 4.76 | Cytotoxicity against human HT29 cells under hypoxic conditions after 4 hrs | 18001018 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18001018 | 10.1021/jm070670g | HT-29 | 7 |
| 18001018 | 10.1021/jm070670g | Mus musculus | 4 |
| 18001018 | 10.1021/jm070670g | SiHa | 2 |
| 18001018 | 10.1021/jm070670g | No relevant target | 1 |
| 18001018 | 10.1021/jm070670g | Plasma | 1 |
Data from ChEMBL 36 via Core Engine