Compound Detail
CHEMBL5951006
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CC(C)(C)[C@H](c1cc(-c2cc(F)ccc2F)cn1Cc1ccccc1)N(CCCN)C(=O)CSC[C@H](NC(=O)CCC(=O)O)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL5951006 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VVXOEPHPLHGJMY-UCGGBYDDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
672.8
MW (Da)
4.91
ALogP
7
HBA
4
HBD
155.0
PSA (Ų)
0.16
QED
1
Ro5 Violations
17
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kinesin-like protein KIF11 CHEMBL4581 | IC50 | 9.35 | 9.35 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kinesin-like protein KIF11 | IC50 | = | 0.446 | nM | 9.35 | Inhibition Assay: The motor domain of the human kinesin spindle protein KSP/Eg5 ... | - |
Data from ChEMBL 36 via Core Engine