Compound Detail
CHEMBL5413808
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
CCCOC(=O)c1sc(NC(=O)C[C@H](CCCN(C)CC#CCNC(=O)O[C@@H]2CC/C=C/CCC2)NC(=O)c2cccc(-c3noc(C)n3)c2)nc1C
Basic Information
| ChEMBL ID | CHEMBL5413808 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FZVDORMMEQQTHN-YMKWRMSOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
747.9
MW (Da)
5.83
ALogP
12
HBA
3
HBD
177.9
PSA (Ų)
0.09
QED
3
Ro5 Violations
16
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kinesin-like protein KIFC1 CHEMBL3351200 | IC50 | 7.41 | 7.41 | 39.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kinesin-like protein KIFC1 | IC50 | = | 39.0 | nM | 7.41 | Inhibition of N-terminal His-tagged full length recombinant human HSET assessed ... | 36749938 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36749938 | 10.1021/acs.jmedchem.2c01591 | Kinesin-like protein KIFC1 | 3 |
| 36749938 | 10.1021/acs.jmedchem.2c01591 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine