Compound Detail
CHEMBL63107
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Basic Information
| ChEMBL ID | CHEMBL63107 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QOTXVDPQOVHXPX-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
459.6
MW (Da)
3.66
ALogP
7
HBA
0
HBD
83.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.49
EC50 1 meas. best 7.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Geranylgeranyl transferase type I CHEMBL2095164 | IC50 | 9.49 | 9.49 | 0.3 | 1 |
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 8.8 | 8.575 | 1.6 | 2 |
| Geranylgeranyl transferase type I CHEMBL2095164 | EC50 | 7.15 | 7.15 | 71.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Geranylgeranyl transferase type I | IC50 | = | 0.32 | nM | 9.49 | Inhibition of [1-3H]-GGPP incorporation into biotinylated K4B-Ras peptide by ger... | 12113834 |
| Protein farnesyltransferase | IC50 | = | 1.6 | nM | 8.8 | Inhibitor of Farnesyl protein transferase (FTPase) required to reduce radiolabel... | 12113834 |
| Protein farnesyltransferase | IC50 | = | 4.52 | nM | 8.35 | The concentration required to displace 50% of a highly potent radiolabeled FPTas... | 12113834 |
| Geranylgeranyl transferase type I | EC50 | = | 71.0 | nM | 7.15 | Inhibition of geranylgeranylation of the C-terminal CAAX sequence of Rap 1a in P... | 12113834 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12113834 | 10.1016/s0960-894x(02)00308-6 | Protein farnesyltransferase | 2 |
| 12113834 | 10.1016/s0960-894x(02)00308-6 | Geranylgeranyl transferase type I | 2 |
Data from ChEMBL 36 via Core Engine