Compound Detail
CHEMBL4299851
PIFLUFOLASTAT 💊 Approved Drug
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
💊 Approved Drug
O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(F)nc1)C(=O)O)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL4299851 |
| Name | PIFLUFOLASTAT |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | OLWVRJUNLXQDSP-RYUDHWBXSA-N |
| Therapeutic | ✓ Yes |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
2
Known Names
2
Indications
Molecular Properties
442.4
MW (Da)
0.19
ALogP
6
HBA
6
HBD
195.0
PSA (Ų)
0.18
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2021 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Indications
Carcinoma, Hepatocellular Prostatic Neoplasms
Activity Summary
IC50 1 meas. best 8.81
Ki 1 meas. best 7.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 CHEMBL1892 | IC50 | 8.81 | 8.81 | 1.6 | 1 |
| Glutamate carboxypeptidase 2 CHEMBL1892 | Ki | 7.81 | 7.81 | 15.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate carboxypeptidase 2 | IC50 | = | 1.56 | nM | 8.81 | Inhibition of PSMA in human LNCaP cell extracts in presence of N-acetylaspartylg... | 32097010 |
| Glutamate carboxypeptidase 2 | Ki | = | 15.6 | nM | 7.81 | Enzymatic Assay for In Vitro Evaluation of PSMA Inhibitors: The inhibitory activ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32097010 | 10.1021/acs.jmedchem.9b02022 | Glutamate carboxypeptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine