Compound Detail
CHEMBL494856
CYTOCHALASIN E Enter ChEMBL ID:
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C[C@H]1C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]32OC(=O)O/C=C/[C@@](C)(O)C1=O
Basic Information
| ChEMBL ID | CHEMBL494856 |
| Name | CYTOCHALASIN E |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LAJXCUNOQSHRJO-ZYGJITOWSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
495.6
MW (Da)
3.09
ALogP
7
HBA
2
HBD
114.5
PSA (Ų)
0.37
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A549 CHEMBL392 | IC50 | 8.21 | 8.21 | 6.2 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| HUVEC CHEMBL613979 | IC50 | 7.94 | 7.94 | 11.4 | 1 |
| P388 CHEMBL389 | IC50 | 7.03 | 7.03 | 93.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A549 | IC50 | = | 6.2 | nM | 8.21 | Cytotoxicity against human A549 cells after 72 hrs by MTT method | 16792402 |
| NON-PROTEIN TARGET | IC50 | = | 11.0 | nM | 7.96 | Antiangiogenesis activity in HUAEC assessed as inhibition of VEGF-induced cell p... | 21718054 |
| HUVEC | IC50 | = | 11.4 | nM | 7.94 | Antiangiogenesis activity in HUVEC assessed as inhibition of VEGF-induced cell p... | 21718054 |
| P388 | IC50 | = | 93.0 | nM | 7.03 | Cytotoxicity against mouse P388 cells after 72 hrs by MTT method | 16792402 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16792402 | 10.1021/np050201m | P388 | 1 |
| 16792402 | 10.1021/np050201m | A549 | 1 |
| 11141120 | 10.1021/np0002942 | NON-PROTEIN TARGET | 1 |
| 11141120 | 10.1021/np0002942 | SW-620 | 1 |
| 11141120 | 10.1021/np0002942 | HCT-116 | 1 |
| 21718054 | 10.1021/np200108h | HUVEC | 1 |
| 21718054 | 10.1021/np200108h | NON-PROTEIN TARGET | 1 |
| 8835287 | - | ATP-dependent translocase ABCB1 | 1 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Acetylcholinesterase | 1 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Cholinesterase | 1 |
| 32652407 | 10.1016/j.ejmech.2020.112502 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine