Compound Detail
CHEMBL224383
BNIPDAOCT Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL224383 |
| Name | BNIPDAOCT |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MHUQJXHXWGEULM-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
480.7
MW (Da)
8.08
ALogP
2
HBA
2
HBD
24.1
PSA (Ų)
0.15
QED
1
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania infantum CHEMBL612848 | IC50 | 6.11 | 6.11 | 780.0 | 1 |
| Caco-2 CHEMBL614058 | IC50 | 5.5 | 5.355 | 3200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania infantum | IC50 | = | 780.0 | nM | 6.11 | Cytotoxicity activity against Leishmania infantum after 72 hrs by MTT assay | 17010616 |
| Caco-2 | IC50 | = | 3200.0 | nM | 5.5 | Cytotoxicity activity against Caco-2 cells after 48 by MTT assay | 17010616 |
| Caco-2 | IC50 | = | 6200.0 | nM | 5.21 | Cytotoxicity activity against Caco-2 cells after 24 by MTT assay | 17010616 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17010616 | 10.1016/j.bmc.2006.09.031 | Caco-2 | 2 |
| 17010616 | 10.1016/j.bmc.2006.09.031 | Leishmania infantum | 1 |
Data from ChEMBL 36 via Core Engine