Compound Detail
CHEMBL4297269
OSUGACESTAT 🧪 Phase II
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🧪 Phase II
CN1C(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CCC(F)(F)F)C(N)=O)N=C(c2ccccc2)c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL4297269 |
| Name | OSUGACESTAT |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | AYOUDDAETNMCBW-GSHUGGBRSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
7
Known Names
6
Indications
Molecular Properties
556.5
MW (Da)
4.35
ALogP
4
HBA
2
HBD
104.9
PSA (Ų)
0.45
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Breast Neoplasms Carcinoma, Adenoid Cystic Neoplasms Neoplasms Precursor Cell Lymphoblastic Leukemia-Lymphoma Precursor T-Cell Lymphoblastic Leukemia-Lymphoma
Activity Summary
EC50 2 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cryptosporidium parvum CHEMBL612855 | EC50 | 8.74 | 8.74 | 1.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cryptosporidium parvum | EC50 | = | 1.8 | nM | 8.74 | Antiparasitic activity against Cryptosporidium parvum assessed as parasitic grow... | 37196868 |
| Cryptosporidium parvum | EC50 | = | 1.8 | nM | 8.74 | Antiparasitic activity against Cryptosporidium parvum infected in human HCT-8 ce... | 37196868 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37196868 | 10.1016/j.bmcl.2023.129328 | Cryptosporidium parvum | 3 |
Data from ChEMBL 36 via Core Engine