Compound Detail
CHEMBL138719
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Basic Information
| ChEMBL ID | CHEMBL138719 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KZCMMZOLCBZLNG-QHCPKHFHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
466.6
MW (Da)
3.70
ALogP
6
HBA
3
HBD
96.1
PSA (Ų)
0.37
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2096912 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 4.47 | 4.47 | 34000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 20.0 | nM | 7.7 | Inhibition of mammalian H-Ras processing in NIH 3T3 cells | 11277514 |
| Protein farnesyltransferase | IC50 | = | 34000.0 | nM | 4.47 | Inhibition of mammalian Farnesyltransferase | 11277514 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11277514 | 10.1016/s0960-894x(01)00055-5 | Plasmodium falciparum | 2 |
| 11277514 | 10.1016/s0960-894x(01)00055-5 | Protein farnesyltransferase | 2 |
| 14711313 | 10.1021/jm030236o | Protein farnesyltransferase | 1 |
| 14711313 | 10.1021/jm030236o | Trypanosoma brucei brucei | 1 |
| 14711313 | 10.1021/jm030236o | Trypanosoma brucei rhodesiense | 1 |
| 14711313 | 10.1021/jm030236o | NIH3T3 | 1 |
| 23953690 | 10.1016/j.bmc.2013.07.039 | HT-1080 | 1 |
Data from ChEMBL 36 via Core Engine