Compound Detail
CHEMBL513978
GRIFOLIC ACID Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL513978 |
| Name | GRIFOLIC ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QPIZDZGIXDKCRC-JTCWOHKRSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
372.5
MW (Da)
6.07
ALogP
3
HBA
3
HBD
77.8
PSA (Ų)
0.46
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-secretase 1 CHEMBL4822 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
| DU-145 CHEMBL613508 | IC50 | 5.24 | 5.24 | 5700.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
| Amyloid-beta precursor protein CHEMBL2487 | IC50 | 4.69 | 4.69 | 20300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-secretase 1 | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of BACE1 (unknown origin) using Rh-EVNNLDAEFK fluorogenic peptide as ... | 34100599 |
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 3600.0 | nM | 5.44 | Inhibition of human recombinant PTP1B (1 to 322 residues) expressed in Escherich... | 34460246 |
| DU-145 | IC50 | = | 5700.0 | nM | 5.24 | Antiproliferative activity against LPA-induced human DU-145 cells | 33843223 |
| Unchecked | IC50 | = | 8000.0 | nM | 5.1 | Inhibition of Saccharomyces cerevisiae alpha-glucosidase using pNPG as substrate... | 34460246 |
| Amyloid-beta precursor protein | IC50 | = | 20300.0 | nM | 4.69 | Inhibition of human amyloid beta (1 to 40) aggregation after 24 hrs by ThT fluor... | 31791817 |
| Amyloid-beta precursor protein | IC50 | = | 20300.0 | nM | 4.69 | Inhibition of self-induced aggregation amyloid beta (1 to 40) (unknown origin) i... | 34100599 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34460246 | 10.1021/acs.jnatprod.1c00454 | Unchecked | 2 |
| 34460246 | 10.1021/acs.jnatprod.1c00454 | Tyrosine-protein phosphatase non-receptor type 1 | 2 |
| 7769398 | 10.1021/np50116a031 | Trypanosoma cruzi | 1 |
| 7769398 | 10.1021/np50116a031 | Leishmania braziliensis | 1 |
| 7769398 | 10.1021/np50116a031 | Leishmania donovani | 1 |
| 7769398 | 10.1021/np50116a031 | Leishmania amazonensis | 1 |
| 31791817 | 10.1016/j.bmcl.2019.126808 | Amyloid-beta precursor protein | 1 |
| 34100599 | 10.1021/acs.jnatprod.0c01329 | Amyloid-beta precursor protein | 1 |
| 34100599 | 10.1021/acs.jnatprod.0c01329 | Beta-secretase 1 | 1 |
| 33843223 | 10.1021/acs.jmedchem.0c01002 | DU-145 | 1 |
Data from ChEMBL 36 via Core Engine