Compound Detail
CHEMBL507998
HELICHRYSETIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL507998 |
| Name | HELICHRYSETIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OWGUBYRKZATRIT-QPJJXVBHSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
286.3
MW (Da)
2.71
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | IC50 | 5.28 | 4.8 | 5200.0 | 2 |
| Leishmania amazonensis CHEMBL612877 | IC50 | 4.8 | 4.8 | 15700.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 4.66 | 4.66 | 21700.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.4 | 4.4 | 40200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 5200.0 | nM | 5.28 | Cytotoxicity against human HeLa cells by MTT assay | 18343123 |
| Leishmania amazonensis | IC50 | = | 15700.0 | nM | 4.8 | Antileishmanial activity against Leishmania amazonensis MHOM/BR/76/LTB-012 amast... | 19962891 |
| ADMET | IC50 | = | 21700.0 | nM | 4.66 | Toxicity against BALB/c mouse macrophage by MTT assay | 19962891 |
| HepG2 | IC50 | = | 40200.0 | nM | 4.4 | Cytotoxicity against human HepG2 cells assessed as inhibition of cell proliferat... | 25629304 |
| HeLa | IC50 | = | 48100.0 | nM | 4.32 | Cytotoxicity against human HeLa cells assessed as inhibition of cell proliferati... | 25629304 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9461664 | 10.1021/np970293i | NON-PROTEIN TARGET | 4 |
| 10820110 | 10.1021/jf990282q | Spodoptera litura | 2 |
| 11277741 | 10.1021/np000496y | NON-PROTEIN TARGET | 1 |
| 11277741 | 10.1021/np000496y | HT-1080 | 1 |
| 18343123 | 10.1016/j.bmc.2008.02.079 | HeLa | 1 |
| 18343123 | 10.1016/j.bmc.2008.02.079 | NON-PROTEIN TARGET | 1 |
| 19962891 | 10.1016/j.bmcl.2009.11.033 | Unchecked | 1 |
| 19962891 | 10.1016/j.bmcl.2009.11.033 | ADMET | 1 |
| 19962891 | 10.1016/j.bmcl.2009.11.033 | Leishmania amazonensis | 1 |
| 25629304 | 10.1021/jm5016507 | HeLa | 1 |
| 25629304 | 10.1021/jm5016507 | A549 | 1 |
| 25629304 | 10.1021/jm5016507 | HepG2 | 1 |
| 30694059 | 10.1021/acs.jnatprod.8b00696 | Transcription factor p65 | 1 |
Data from ChEMBL 36 via Core Engine