Compound Detail
CHEMBL340244
CALYTHROPSIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL340244 |
| Name | CALYTHROPSIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IULVGTQOZKYHCS-QHHAFSJGSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
286.3
MW (Da)
2.71
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 6.23 | 6.23 | 590.0 | 1 |
| L1210 CHEMBL386 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.19 | 4.19 | 65000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 15.0 | nM | 7.82 | In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined | 8254620 |
| Plasmodium falciparum | IC50 | = | 590.0 | nM | 6.23 | Antimalarial activity against Plasmodium falciparum 3D7 | 32179331 |
| L1210 | IC50 | = | 7000.0 | nM | 5.16 | Cytotoxicity against mouse L1210 cells after 24 hrs | 8277311 |
| Unchecked | IC50 | = | 65000.0 | nM | 4.19 | Inhibition of Prostaglandin G/H synthase activity in sheep seminal vesicle was d... | 8254620 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8277311 | 10.1021/np50100a009 | NON-PROTEIN TARGET | 3 |
| 34628233 | 10.1016/j.bmc.2021.116456 | J774.A1 | 3 |
| 8254620 | 10.1021/jm00076a019 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 8254620 | 10.1021/jm00076a019 | Unchecked | 1 |
| 8277311 | 10.1021/np50100a009 | L1210 | 1 |
| 32179331 | 10.1016/j.ejmech.2020.112215 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine