Compound Detail
CHEMBL4563398
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\C)C(N3CCN(CCO)C3=O)C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)CC[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL4563398 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HZGNNLZIIASQPE-QVKDGJRMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
998.3
MW (Da)
6.09
ALogP
13
HBA
4
HBD
212.9
PSA (Ų)
0.12
QED
3
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase mTOR CHEMBL1255165 | IC50 | 6.82 | 6.82 | 153.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase mTOR | IC50 | = | 153.0 | nM | 6.82 | Inhibition of mTOR in mouse TSC1-/- MEF cells assessed as inhibition of S6 Ser24... | 31223435 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31223435 | 10.1021/acsmedchemlett.9b00215 | Serine/threonine-protein kinase mTOR | 1 |
Data from ChEMBL 36 via Core Engine