Compound Detail
CHEMBL5753752
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C=C(C)[C@@H]1CC[C@]2(NCCN3CCC(S(C)(=O)=O)CC3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CCC(F)(OC=O)CC6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL5753752 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYUYNYIEQYKVCM-AOMVPLBISA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
741.1
MW (Da)
8.98
ALogP
6
HBA
1
HBD
75.7
PSA (Ų)
0.19
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 8.4 | 7.11 | 4.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 4.0 | nM | 8.4 | HIV Cell Culture Assay: MT-2 cells and 293T cells were obtained from the NIH AID... | - |
| Unchecked | EC50 | = | 1500.0 | nM | 5.82 | HIV Cell Culture Assay: MT-2 cells and 293T cells were obtained from the NIH AID... | - |
Data from ChEMBL 36 via Core Engine