Compound Detail
CHEMBL4172765
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
C=C1/C=C/C(=O)N(CCCCCC)CC(=O)N[C@@H]([C@H](O)C(=O)OC)C(=O)O[C@@H]([C@H](C)CCCCCCCCCCCC(C)C)[C@H](C)C(=O)N1
Basic Information
| ChEMBL ID | CHEMBL4172765 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AATQFRPFTSCQOK-HMXXNFHVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
692.0
MW (Da)
5.74
ALogP
8
HBA
3
HBD
151.3
PSA (Ų)
0.11
QED
2
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PANC-1 CHEMBL614139 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PANC-1 | IC50 | = | 7000.0 | nM | 5.16 | Cytotoxicity against human PANC1 cells after 72 hrs under hypoxic condition by M... | 29656202 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29656202 | 10.1016/j.ejmech.2018.03.078 | PANC-1 | 3 |
Data from ChEMBL 36 via Core Engine