Compound Detail
CHEMBL3775914
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
COC(=O)[C@H](O)[C@H]1NC(=O)CN(C)C(=O)/C=C/[C@@H](CO)NC(=O)[C@H](C)[C@@H]([C@@H](C)CCCCCCCCCCCC(C)C)OC1=O
Basic Information
| ChEMBL ID | CHEMBL3775914 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSQLTPPKKYNCMH-URJQXVGGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
639.8
MW (Da)
2.64
ALogP
9
HBA
4
HBD
171.6
PSA (Ų)
0.15
QED
1
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 4.51 | 4.51 | 30900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 30900.0 | nM | 4.51 | Cytotoxicity against human K562 cells assessed as cell viability after 72 hrs by... | 26814890 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26814890 | 10.1021/acs.jmedchem.5b01841 | K562 | 1 |
| 26814890 | 10.1021/acs.jmedchem.5b01841 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine