Compound Detail
CHEMBL27002
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Cc1cc(C)cc(-c2cc(NCc3c[nH]cn3)ccc2C(=O)N[C@@H](CC(C)C)C(=O)O)c1
Basic Information
| ChEMBL ID | CHEMBL27002 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SUTIPWLBYIUOBW-QHCPKHFHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
434.5
MW (Da)
4.53
ALogP
4
HBA
4
HBD
107.1
PSA (Ų)
0.40
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Geranylgeranyl transferase type I CHEMBL2095164 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Geranylgeranyl transferase type I | IC50 | = | 150.0 | nM | 6.82 | In vitro inhibition of [3H]GGPP incorporation into H-Ras-CVLL by Geranylgeranyl ... | 10212118 |
| Protein farnesyltransferase | IC50 | = | 900.0 | nM | 6.05 | In vitro inhibition of [3H]FPP incorporation into H-Ras-CVLS by Farnesyl transfe... | 10212118 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10212118 | 10.1021/jm9900873 | Protein farnesyltransferase | 2 |
| 10212118 | 10.1021/jm9900873 | Geranylgeranyl transferase type I | 1 |
| 10212118 | 10.1021/jm9900873 | Unchecked | 1 |
| 10212118 | 10.1021/jm9900873 | Protein farnesyl/geranylgeranyl transferase | 1 |
Data from ChEMBL 36 via Core Engine