Compound Detail
CHEMBL444775
PHAKELLI STATIN 11 Enter ChEMBL ID:
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CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
Basic Information
| ChEMBL ID | CHEMBL444775 |
| Name | PHAKELLI STATIN 11 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | ZIGSHEPERCJQHS-QXNLLLFYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
974.2
MW (Da)
1.44
ALogP
9
HBA
6
HBD
249.5
PSA (Ų)
0.16
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| SK-HEP1 CHEMBL614912 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
| K562 CHEMBL385 | IC50 | 5.25 | 5.25 | 5600.0 | 1 |
| SNU-638 CHEMBL614935 | IC50 | 5.16 | 5.16 | 6900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | IC50 | = | 1600.0 | nM | 5.8 | Cytotoxicity against human HCT116 cells after 72 hrs by sulforhodamine B assay | 29893558 |
| SK-HEP1 | IC50 | = | 1700.0 | nM | 5.77 | Cytotoxicity against human SKHEP1 cells after 72 hrs by sulforhodamine B assay | 29893558 |
| A549 | IC50 | = | 2800.0 | nM | 5.55 | Cytotoxicity against human A549 cells after 72 hrs by sulforhodamine B assay | 29893558 |
| MDA-MB-231 | IC50 | = | 3200.0 | nM | 5.5 | Cytotoxicity against human MDA-MB-231 cells after 72 hrs by sulforhodamine B ass... | 29893558 |
| K562 | IC50 | = | 5600.0 | nM | 5.25 | Cytotoxicity against human K562 cells after 72 hrs by sulforhodamine B assay | 29893558 |
| SNU-638 | IC50 | = | 6900.0 | nM | 5.16 | Cytotoxicity against human SNU638 cells after 72 hrs by sulforhodamine B assay | 29893558 |
Literature References
Data from ChEMBL 36 via Core Engine