Compound Detail
CHEMBL2179949
ILICICOLIN H Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C/C=C/[C@@H]1[C@H]2C[C@@H](C)CC[C@@H]2C(C)=C[C@H]1C(=O)c1c(O)c(-c2ccc(O)cc2)c[nH]c1=O
Basic Information
| ChEMBL ID | CHEMBL2179949 |
| Name | ILICICOLIN H |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BYVVOONSAAQMKI-RFKCMYLBSA-N |
12
Targets
16
Activities
1
Assay Types
3
PK Parameters
20
Publications
0
Known Names
Molecular Properties
433.6
MW (Da)
5.46
ALogP
4
HBA
3
HBD
90.4
PSA (Ų)
0.44
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 16 meas. best 8.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.73 | 7.566 | 1.9 | 5 |
| MDA-MB-435 CHEMBL614697 | IC50 | 5.2 | 5.2 | 6340.0 | 1 |
| NCI-H1703 CHEMBL1075522 | IC50 | 5.18 | 5.18 | 6650.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.15 | 5.15 | 7010.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 5.0 | 5.0 | 9980.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 4.97 | 4.97 | 10750.0 | 1 |
| 4T1 CHEMBL612589 | IC50 | 4.86 | 4.86 | 13840.0 | 1 |
| SNB-19 CHEMBL614164 | IC50 | 4.84 | 4.84 | 14590.0 | 1 |
| Hepa 1-6 CHEMBL6066745 | IC50 | 4.71 | 4.71 | 19570.0 | 1 |
| MC-38 CHEMBL612821 | IC50 | 4.71 | 4.71 | 19550.0 | 1 |
| CT26 CHEMBL613866 | IC50 | 4.71 | 4.71 | 19540.0 | 1 |
| B16-F10 CHEMBL612656 | IC50 | 4.67 | 4.67 | 21580.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 16.0 | mL.min-1.kg-1 | Mus musculus |
| F | 72.0 | % | Mus musculus |
| T1/2 | 2.5 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine