Compound Detail
CHEMBL4783669
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 | CHEMBL4783669 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CGGBQYUSUSSXPB-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
415.5
MW (Da)
5.36
ALogP
4
HBA
2
HBD
84.1
PSA (Ų)
0.44
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L132 CHEMBL613999 | IC50 | 5.49 | 5.49 | 3260.0 | 1 |
| HeLa CHEMBL399 | IC50 | 5.45 | 5.45 | 3590.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 5.44 | 5.44 | 3650.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.38 | 5.38 | 4170.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.33 | 5.33 | 4720.0 | 1 |
| THP-1 CHEMBL614245 | IC50 | 4.5 | 4.5 | 32000.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 4.17 | 4.17 | 68000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L132 | IC50 | = | 3260.0 | nM | 5.49 | Cytotoxicity against human L-132 cells assessed as reduction in cell viability a... | 26791014 |
| HeLa | IC50 | = | 3590.0 | nM | 5.45 | Cytotoxicity against human HeLa cells assessed as reduction in cell viability at... | 26791014 |
| HepG2 | IC50 | = | 3650.0 | nM | 5.44 | Cytotoxicity against human HepG2 cells assessed as reduction in cell viability a... | 26791014 |
| MCF7 | IC50 | = | 4170.0 | nM | 5.38 | Cytotoxicity against human MCF-7 cells assessed as reduction in cell viability a... | 26791014 |
| A549 | IC50 | = | 4720.0 | nM | 5.33 | Cytotoxicity against human A-549 cells assessed as reduction in cell viability a... | 26791014 |
| THP-1 | IC50 | = | 32000.0 | nM | 4.5 | Cytotoxicity against differentiated human THP-1 cells measured after 48 hrs by M... | 26791014 |
| Leishmania donovani | IC50 | = | 68000.0 | nM | 4.17 | Antileishmanial activity against Leishmania donovani MHOM/80/IN/Dd8 promastigote... | 26791014 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26791014 | 10.1016/j.bmcl.2015.12.095 | A549 | 2 |
| 26791014 | 10.1016/j.bmcl.2015.12.095 | MCF7 | 2 |
| 26791014 | 10.1016/j.bmcl.2015.12.095 | HeLa | 1 |
| 26791014 | 10.1016/j.bmcl.2015.12.095 | HepG2 | 1 |
| 26791014 | 10.1016/j.bmcl.2015.12.095 | L132 | 1 |
| 26791014 | 10.1016/j.bmcl.2015.12.095 | Leishmania donovani | 1 |
| 26791014 | 10.1016/j.bmcl.2015.12.095 | THP-1 | 1 |
| 26791014 | 10.1016/j.bmcl.2015.12.095 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine