Compound Detail
CHEMBL299621
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N#Cc1ccc2cc1Oc1ccc3cccc(c3c1)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)Cc1cncn1C2
Basic Information
| ChEMBL ID | CHEMBL299621 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QIQWUVXAQGNSCR-PSXMRANNSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
589.7
MW (Da)
7.31
ALogP
6
HBA
1
HBD
83.2
PSA (Ų)
0.23
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Protein farnesyltransferase CHEMBL2095197 | IC50 | 6.24 | 6.24 | 574.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 50.0 | nM | 7.3 | In vitro inhibitory activity to reduce the human farnesyltransferase catalyzed i... | 11459639 |
| Protein farnesyltransferase | IC50 | = | 574.0 | nM | 6.24 | In vitro ability to displace radiolabeled FTI from farnesyltransferase in cultur... | 11459639 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11459639 | 10.1016/s0960-894x(01)00340-7 | Protein farnesyltransferase | 2 |
| 11459639 | 10.1016/s0960-894x(01)00340-7 | Geranylgeranyl transferase type I | 1 |
Data from ChEMBL 36 via Core Engine