Compound Detail
CHEMBL406117
GUSPERIMUS 🧪 Phase III
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🧪 Phase III
Basic Information
| ChEMBL ID | CHEMBL406117 |
| Name | GUSPERIMUS |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | IDINUJSAMVOPCM-UHFFFAOYSA-N |
3
Targets
8
Activities
3
Assay Types
0
PK Parameters
20
Publications
1
Known Names
2
Indications
Molecular Properties
387.5
MW (Da)
-1.31
ALogP
6
HBA
8
HBD
178.4
PSA (Ų)
0.07
QED
1
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Racemic |
Indications
Granulomatosis with Polyangiitis Immune System Diseases
ATC Classification
L04AA19
gusperimus
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: IMMUNOSUPPRESSANTS
Activity Summary
IC50 5 meas. best 6.83
Kd 2 meas. best 5.4
Ki 1 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MDA-MB-231 CHEMBL400 | Ki | 7.09 | 7.09 | 81.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 6.83 | 6.83 | 148.0 | 1 |
| Unchecked CHEMBL612545 | Kd | 5.4 | 5.4 | 4000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MDA-MB-231 | Ki | = | 81.0 | nM | 7.09 | Inhibition of [3H]spermidine transport into MDA-MB-231 (human breast cancer) cel... | 11606128 |
| Plasmodium falciparum | IC50 | = | 148.0 | nM | 6.83 | Antimalarial activity against Plasmodium falciparum FCK2 by [3H]hypoxanthine upt... | 17194705 |
| Unchecked | Kd | = | 4000.0 | nM | 5.4 | Binding affinity to Hsp70 | 18164205 |
| Unchecked | Kd | = | 4000.0 | nM | 5.4 | Binding affinity to Hsp90 | 18164205 |
Literature References
Data from ChEMBL 36 via Core Engine