Compound Detail
CHEMBL282256
EPIPODOPHYLLOTOXIN Enter ChEMBL ID:
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COc1cc([C@@H]2c3cc4c(cc3[C@@H](O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC
Basic Information
| ChEMBL ID | CHEMBL282256 |
| Name | EPIPODOPHYLLOTOXIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YJGVMLPVUAXIQN-LGWHJFRWSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
414.4
MW (Da)
2.41
ALogP
8
HBA
1
HBD
92.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.22
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P388 | IC50 | = | 60.0 | nM | 7.22 | Cytotoxicity against mouse P388 cells | 7673931 |
| A549 | IC50 | = | 60.0 | nM | 7.22 | Cytotoxicity against human A549 cells | 7673931 |
| HT-29 | IC50 | = | 60.0 | nM | 7.22 | Cytotoxicity against human HT-29 cells | 7673931 |
| P388 | IC50 | = | 6000.0 | nM | 5.22 | In vitro cytotoxicity against the P-388 (from DBA/2 mouse) neoplastic cell line | 14980682 |
| A549 | IC50 | = | 6000.0 | nM | 5.22 | In vitro cytotoxicity against the A-549 (human lung carcinoma) neoplastic cell l... | 14980682 |
| HT-29 | IC50 | = | 6000.0 | nM | 5.22 | In vitro cytotoxicity against the HT-29 (human colon carcinoma) neoplastic cell ... | 14980682 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)10072-5 | NON-PROTEIN TARGET | 2 |
| 423203 | 10.1021/jm00189a001 | Unchecked | 1 |
| - | 10.1016/S0960-894X(97)10072-5 | Mus musculus | 1 |
| 22607205 | 10.1021/jm2017573 | A549 | 1 |
| 22607205 | 10.1021/jm2017573 | HT-29 | 1 |
| 7673931 | 10.1021/np50120a008 | HT-29 | 1 |
| 7673931 | 10.1021/np50120a008 | A549 | 1 |
| 7673931 | 10.1021/np50120a008 | P388 | 1 |
| 9834179 | 10.1021/np980136z | ADMET | 1 |
| 9834179 | 10.1021/np980136z | NON-PROTEIN TARGET | 1 |
| 9834179 | 10.1021/np980136z | Human alphaherpesvirus 1 | 1 |
| 8709118 | 10.1021/jm960023h | NON-PROTEIN TARGET | 1 |
| 8709118 | 10.1021/jm960023h | ADMET | 1 |
| 8709118 | 10.1021/jm960023h | Mus musculus | 1 |
| 14980682 | 10.1016/j.bmcl.2003.12.039 | HT-29 | 1 |
| 14980682 | 10.1016/j.bmcl.2003.12.039 | A549 | 1 |
| 14980682 | 10.1016/j.bmcl.2003.12.039 | P388 | 1 |
Data from ChEMBL 36 via Core Engine