Compound Detail
CHEMBL387643
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Basic Information
| ChEMBL ID | CHEMBL387643 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NOHPDJDDUIXDPE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
211.2
MW (Da)
1.32
ALogP
5
HBA
0
HBD
78.7
PSA (Ų)
0.32
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-29 CHEMBL384 | EC50 | 5.03 | 5.03 | 9300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-29 | EC50 | = | 9300.0 | nM | 5.03 | Apoptosis induction in human HT29 cells after 24 hrs | 17441704 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17441704 | 10.1021/jm061371e | HT-29 | 2 |
| 17441704 | 10.1021/jm061371e | SW480 | 1 |
Data from ChEMBL 36 via Core Engine