Compound Detail
CHEMBL112940
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Basic Information
| ChEMBL ID | CHEMBL112940 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZDHCZPBJZQRBMP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
428.5
MW (Da)
4.25
ALogP
6
HBA
1
HBD
87.8
PSA (Ų)
0.48
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2095178 | IC50 | 9.15 | 9.15 | 0.7 | 1 |
| Rat1 CHEMBL614630 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 0.7 | nM | 9.15 | Inhibition of bovine Farnesyltransferase in vitro. | 10612589 |
| Rat1 | IC50 | = | 31.0 | nM | 7.51 | Inhibition of proliferation of v-Ha-ras-transformed RAT1 cells on poly-(HEMA)-co... | 10612589 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10612589 | 10.1016/s0960-894x(99)00605-8 | Protein farnesyltransferase | 1 |
| 10612589 | 10.1016/s0960-894x(99)00605-8 | Rat1 | 1 |
Data from ChEMBL 36 via Core Engine