Compound Detail
CHEMBL30059
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Basic Information
| ChEMBL ID | CHEMBL30059 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KXPIURLUHSBSHE-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
457.5
MW (Da)
4.71
ALogP
5
HBA
0
HBD
85.7
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.66
EC50 1 meas. best 8.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 8.66 | 8.66 | 2.2 | 1 |
| Protein farnesyltransferase CHEMBL2096912 | EC50 | 8.41 | 8.41 | 3.9 | 1 |
| Geranylgeranyl transferase type I CHEMBL2095164 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 10.0 | % | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 2.2 | nM | 8.66 | In vitro inhibition of farnesyltransferase | 12657283 |
| Protein farnesyltransferase | EC50 | = | 3.9 | nM | 8.41 | Inhibition of Ras farnesylation in Human Ha-Ras oncogene-transformed BALB/c 3T3 ... | 12657283 |
| Geranylgeranyl transferase type I | IC50 | = | 4500.0 | nM | 5.35 | In vitro inhibition of geranylgeranyltransferase-1 | 12657283 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12657283 | 10.1016/s0960-894x(03)00094-5 | Protein farnesyltransferase | 2 |
| 12657283 | 10.1016/s0960-894x(03)00094-5 | Geranylgeranyl transferase type I | 1 |
| 12657283 | 10.1016/s0960-894x(03)00094-5 | Canis familiaris | 1 |
Data from ChEMBL 36 via Core Engine