Compound Detail
CHEMBL367505
CHRYSIN DIACETATE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL367505 |
| Name | CHRYSIN DIACETATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FAVULDRRJPCIGK-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
338.3
MW (Da)
3.31
ALogP
6
HBA
0
HBD
82.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.58
EC50 1 meas. best 4.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-29 CHEMBL384 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
| SGC-7901 CHEMBL614909 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.25 | 4.25 | 56000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-29 | IC50 | = | 2600.0 | nM | 5.58 | In vitro inhibitory concentration required against human colorectal adenocarcino... | 12617913 |
| SGC-7901 | IC50 | = | 4500.0 | nM | 5.35 | In vitro inhibitory concentration required against human gastric adenocarcinoma ... | 12617913 |
| Human immunodeficiency virus 1 | EC50 | = | 56000.0 | nM | 4.25 | Antiviral activity against HIV1 3B infected in human H9 cells assessed as inhibi... | 8158164 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24556144 | 10.1016/j.ejmech.2013.12.044 | H22 | 5 |
| 10206552 | 10.1016/s0960-894x(99)00092-x | Mus musculus | 2 |
| 12617913 | 10.1016/s0960-894x(02)01081-8 | SGC-7901 | 1 |
| 12617913 | 10.1016/s0960-894x(02)01081-8 | HT-29 | 1 |
| 10206552 | 10.1016/s0960-894x(99)00092-x | Unchecked | 1 |
| 8158164 | 10.1021/np50103a006 | H9 | 1 |
| 8158164 | 10.1021/np50103a006 | Human immunodeficiency virus 1 | 1 |
| 8158164 | 10.1021/np50103a006 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine