Compound Detail
CHEMBL515928
GOMISIN G Enter ChEMBL ID:
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COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](OC(=O)c1ccccc1)[C@@](C)(O)[C@@H](C)C2
Basic Information
| ChEMBL ID | CHEMBL515928 |
| Name | GOMISIN G |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OFDWKHIQKPKRKY-DSASHONVSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
536.6
MW (Da)
4.96
ALogP
9
HBA
1
HBD
101.9
PSA (Ų)
0.44
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.96
EC50 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.96 | 7.96 | 11.0 | 1 |
| Human immunodeficiency virus CHEMBL613758 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 4.42 | 4.37 | 38200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 11.0 | nM | 7.96 | Antiviral activity against HIV1 3B infected in H9 cells assessed as inhibition o... | 20187635 |
| Human immunodeficiency virus | IC50 | = | 11.0 | nM | 7.96 | Antiviral activity against HIV | 9834179 |
| HL-60 | IC50 | = | 38200.0 | nM | 4.42 | Antioxidant activity in human HL60 cells assessed as inhibition of TPA-stimulate... | 16562834 |
| HL-60 | IC50 | = | 48300.0 | nM | 4.32 | Cytotoxicity against human HL60 cells by XTT assay | 16562834 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12350139 | 10.1021/np0105127 | Unchecked | 4 |
| 19673515 | 10.1021/np9003678 | PBMC | 3 |
| 16562834 | 10.1021/np0503707 | HL-60 | 2 |
| 16562834 | 10.1021/np0503707 | KB | 1 |
| 25302569 | 10.1021/np500521v | Unchecked | 1 |
| 20187635 | 10.1021/np900821e | ADMET | 1 |
| 20187635 | 10.1021/np900821e | Human immunodeficiency virus 1 | 1 |
| 16562834 | 10.1021/np0503707 | Prostaglandin G/H synthase 2 | 1 |
| 16562834 | 10.1021/np0503707 | NON-PROTEIN TARGET | 1 |
| 16562834 | 10.1021/np0503707 | SK-OV-3 | 1 |
| 16562834 | 10.1021/np0503707 | BT-549 | 1 |
| 14987069 | 10.1021/np030373o | Human immunodeficiency virus | 1 |
| 16562834 | 10.1021/np0503707 | SK-MEL | 1 |
| 16562834 | 10.1021/np0503707 | LLC-PK1 | 1 |
| 16562834 | 10.1021/np0503707 | Vero | 1 |
| 12350139 | 10.1021/np0105127 | Raji | 1 |
| 9834179 | 10.1021/np980136z | Human immunodeficiency virus | 1 |
Data from ChEMBL 36 via Core Engine