Compound Detail
CHEMBL3218390
GGTI-2418 Phase I
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Phase I
Cc1nc[nH]c1CN1CCN(C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](Cc2ccccc2)C1=O
Basic Information
| ChEMBL ID | CHEMBL3218390 |
| Name | GGTI-2418 |
| Phase | Phase I |
| Structure Type | MOL |
| InChI Key | COLCNDRDBCLVOC-ICSRJNTNSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
2
Known Names
2
Indications
Molecular Properties
441.5
MW (Da)
2.18
ALogP
4
HBA
3
HBD
118.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Lymphoma, T-Cell, Peripheral Neoplasms
Activity Summary
IC50 4 meas. best 8.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Geranylgeranyl transferase type I CHEMBL2095164 | IC50 | 8.02 | 8.02 | 9.5 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.02 | 6.15 | 9.5 | 2 |
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 4.28 | 4.28 | 53000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Geranylgeranyl transferase type I | IC50 | = | 9.5 | nM | 8.02 | Inhibition of human GGTase1 in human Burkitt lymphoma (Daudi) cell supernatant u... | 25530833 |
| Unchecked | IC50 | = | 9.5 | nM | 8.02 | Inhibition of GGTase-1 (unknown origin) | 34236862 |
| Protein farnesyltransferase | IC50 | = | 53000.0 | nM | 4.28 | Inhibition of human recombinant FTase using [3H]farnesyldiphosphate | 25530833 |
| Unchecked | IC50 | = | 53000.0 | nM | 4.28 | Inhibition of Protein farnesyltransferase (unknown origin) | 34236862 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34236862 | 10.1021/acs.jmedchem.1c00410 | Unchecked | 2 |
| 25530833 | 10.1039/c2md20299a | Unchecked | 1 |
| 25530833 | 10.1039/c2md20299a | Geranylgeranyl transferase type I | 1 |
| 25530833 | 10.1039/c2md20299a | Protein farnesyltransferase | 1 |
Data from ChEMBL 36 via Core Engine