Compound Detail
CHEMBL228066
BNIPSPD Enter ChEMBL ID:
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O=C1c2cccc3cccc(c23)C(=O)N1CCCNCCCCNCCCNCCCN1C(=O)c2cccc3cccc(c23)C1=O
Basic Information
| ChEMBL ID | CHEMBL228066 |
| Name | BNIPSPD |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IZFDJZOAUGVPFT-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
619.8
MW (Da)
4.60
ALogP
7
HBA
3
HBD
110.8
PSA (Ų)
0.12
QED
1
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Caco-2 CHEMBL614058 | IC50 | 6.82 | 6.575 | 150.0 | 2 |
| Leishmania infantum CHEMBL612848 | IC50 | 6.33 | 6.33 | 470.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Caco-2 | IC50 | = | 150.0 | nM | 6.82 | Cytotoxicity activity against Caco-2 cells after 48 by MTT assay | 17010616 |
| Caco-2 | IC50 | = | 470.0 | nM | 6.33 | Cytotoxicity activity against Caco-2 cells after 24 by MTT assay | 17010616 |
| Leishmania infantum | IC50 | = | 470.0 | nM | 6.33 | Cytotoxicity activity against Leishmania infantum after 72 hrs by MTT assay | 17010616 |
| Leishmania infantum | IC50 | = | 470.0 | nM | 6.33 | Antiprotozoal activity against Leishmania infantum MHOM/MA671TMAP263 strain prom... | 28886510 |
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 |
| 28886510 | 10.1016/j.ejmech.2017.08.014 | Leishmania infantum | 1 |
Data from ChEMBL 36 via Core Engine