Compound Detail
CHEMBL1093179
TIGLOYLGOMISIN H Enter ChEMBL ID:
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C/C=C(\C)C(=O)Oc1c(OC)c(OC)cc2c1-c1c(cc(OC)c(OC)c1OC)C[C@](C)(O)[C@@H](C)C2
Basic Information
| ChEMBL ID | CHEMBL1093179 |
| Name | TIGLOYLGOMISIN H |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZSAUXCVJDYCLRS-QEEHVONISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
500.6
MW (Da)
4.75
ALogP
8
HBA
1
HBD
92.7
PSA (Ų)
0.33
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 4.35 | 4.35 | 44300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 44300.0 | nM | 4.35 | Cytotoxicity against human HL60 cells by XTT assay | 16562834 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16562834 | 10.1021/np0503707 | HL-60 | 2 |
| 16562834 | 10.1021/np0503707 | Vero | 1 |
| 16562834 | 10.1021/np0503707 | LLC-PK1 | 1 |
| 16562834 | 10.1021/np0503707 | SK-MEL | 1 |
| 16562834 | 10.1021/np0503707 | KB | 1 |
| 16562834 | 10.1021/np0503707 | BT-549 | 1 |
| 16562834 | 10.1021/np0503707 | SK-OV-3 | 1 |
| 16562834 | 10.1021/np0503707 | NON-PROTEIN TARGET | 1 |
| 16562834 | 10.1021/np0503707 | Prostaglandin G/H synthase 2 | 1 |
| 20236826 | 10.1016/j.bmc.2009.10.031 | Prostaglandin G/H synthase 2 | 1 |
| 20236826 | 10.1016/j.bmc.2009.10.031 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 20236826 | 10.1016/j.bmc.2009.10.031 | Prostaglandin G/H synthase 1 | 1 |
Data from ChEMBL 36 via Core Engine