Compound Detail
CHEMBL30858
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N#Cc1ccc(Cn2cncc2CN2CCN(c3cccc(Cl)c3)C(=O)C2)cc1Oc1ccc(OCc2ccccc2)cc1
Basic Information
| ChEMBL ID | CHEMBL30858 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZIMFMTWCZHSVJU-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
604.1
MW (Da)
6.68
ALogP
7
HBA
0
HBD
83.6
PSA (Ų)
0.18
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 6.51 | 5.505 | 311.0 | 2 |
| Geranylgeranyl transferase type I CHEMBL2095164 | IC50 | 4.21 | 4.21 | 62000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 311.0 | nM | 6.51 | Concentration required to displace 50% of a radiolabeled farnesyltransferase inh... | 11378366 |
| Protein farnesyltransferase | IC50 | = | 32000.0 | nM | 4.5 | In vitro inhibition against human Farnesyltransferase catalyzed by incorporation... | 11378366 |
| Geranylgeranyl transferase type I | IC50 | = | 62000.0 | nM | 4.21 | In vitro inhibition against human Geranylgeranyl transferase type I catalyzed by... | 11378366 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11378366 | 10.1016/s0960-894x(01)00240-2 | Protein farnesyltransferase | 2 |
| 11378366 | 10.1016/s0960-894x(01)00240-2 | Geranylgeranyl transferase type I | 2 |
Data from ChEMBL 36 via Core Engine