Compound Detail
CHEMBL5402640
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](CCCNC)NC(=O)c2cccc(-c3noc(C)n3)c2)nc1C
Basic Information
| ChEMBL ID | CHEMBL5402640 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IPKOTWUYIAGZGD-IBGZPJMESA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
528.6
MW (Da)
3.50
ALogP
10
HBA
3
HBD
148.3
PSA (Ų)
0.22
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kinesin-like protein KIFC1 CHEMBL3351200 | IC50 | 7.72 | 7.45 | 19.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kinesin-like protein KIFC1 | IC50 | = | 19.0 | nM | 7.72 | Inhibition of N-terminal His-tagged full length recombinant human HSET assessed ... | 36749938 |
| Kinesin-like protein KIFC1 | IC50 | = | 66.0 | nM | 7.18 | 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 | 2 |
| 36749938 | 10.1021/acs.jmedchem.2c01591 | Unchecked | 2 |
| 36749938 | 10.1021/acs.jmedchem.2c01591 | No relevant target | 1 |
| 36749938 | 10.1021/acs.jmedchem.2c01591 | Kinesin-like protein KIF11 | 1 |
Data from ChEMBL 36 via Core Engine