Compound Detail
CHEMBL5778625
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CC(C)(C)[C@H](c1cc(-c2cc(F)ccc2F)cn1Cc1ccccc1)N(CC[C@H](N)C(=O)NCCOCCN1C(=O)CC(SC[C@H](N)C(=O)O)C1=O)C(=O)CO
Basic Information
| ChEMBL ID | CHEMBL5778625 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WOSZEUSMGXJVSC-QKZYMNDFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
800.9
MW (Da)
2.51
ALogP
11
HBA
5
HBD
210.5
PSA (Ų)
0.08
QED
2
Ro5 Violations
20
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kinesin-like protein KIF11 CHEMBL4581 | IC50 | 9.57 | 9.57 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kinesin-like protein KIF11 | IC50 | = | 0.271 | nM | 9.57 | Inhibition Assay: The motor domain of the human kinesin spindle protein KSP/Eg5 ... | - |
Data from ChEMBL 36 via Core Engine