Compound Detail
CHEMBL303859
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COC(=O)[C@H](CCSC)NC(=O)[C@@H]1C[C@H](Oc2ccccc2)CN1C[C@H](/C=C/[C@@H](N)CS)C(C)C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL303859 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VAXPIVYQVMBRJS-NCZZWIDVSA-N |
| Parent Compound | CHEMBL1183546 |
| Active Moiety | CHEMBL1183546 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
523.8
MW (Da)
3.00
ALogP
8
HBA
3
HBD
93.9
PSA (Ų)
0.20
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2096912 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 40.0 | nM | 7.4 | Inhibitory concentration against Farnesyltransferase for Farnesylation of H-ras ... | 10450988 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10450988 | 10.1016/s0960-894x(99)00342-x | Protein farnesyltransferase | 1 |
| 10450988 | 10.1016/s0960-894x(99)00342-x | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine