Compound Detail
CHEMBL57838
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Basic Information
| ChEMBL ID | CHEMBL57838 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PCDQLFWIZFQMAV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
507.6
MW (Da)
3.80
ALogP
7
HBA
3
HBD
112.7
PSA (Ų)
0.30
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-29 CHEMBL384 | IC50 | 7.21 | 7.21 | 61.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-29 | IC50 | = | 61.0 | nM | 7.21 | Compound was tested for biological activity against human colon carcinoma cell l... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2362284 | 10.1021/jm00169a039 | Nucleic Acid | 120 |
| 6708048 | 10.1021/jm00370a007 | Nucleic Acid | 1 |
| - | 10.1016/0960-894X(96)00325-3 | HT-29 | 1 |
Data from ChEMBL 36 via Core Engine