Compound Detail
CHEMBL197589
LG-190178 Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL197589 |
| Name | LG-190178 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AIKLCYAFOOBGEV-UHFFFAOYSA-N |
6
Targets
8
Activities
2
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
458.6
MW (Da)
4.93
ALogP
5
HBA
3
HBD
79.2
PSA (Ų)
0.45
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.11
IC50 4 meas. best 9.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.64 | 8.32 | 0.2 | 3 |
| Vitamin D3 receptor CHEMBL5601 | EC50 | 8.11 | 8.11 | 7.7 | 1 |
| Androgen receptor CHEMBL3056 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
| LNCaP CHEMBL612518 | EC50 | 7.7 | 7.7 | 20.0 | 1 |
| HL-60 CHEMBL383 | EC50 | 7.52 | 7.52 | 30.0 | 1 |
| Vitamin D3 receptor CHEMBL1977 | EC50 | 7.4 | 7.4 | 40.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.23 | nM | 9.64 | Inhibition of Hedgehog signaling pathway in mouse ASZ001 cells assessed as reduc... | 30471551 |
| Unchecked | IC50 | = | 0.25 | nM | 9.6 | Inhibition of Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as re... | 30471551 |
| Vitamin D3 receptor | EC50 | = | 7.7 | nM | 8.11 | Activation of VDR in mouse ASZ001 cells assessed as change in Cyp24A1 mRNA expre... | 30471551 |
| Androgen receptor | IC50 | = | 19.0 | nM | 7.72 | Androgen antagonistic activity as inhibitory concentration against testosterone-... | 16019211 |
| LNCaP | EC50 | = | 20.0 | nM | 7.7 | Growth inhibition of human LNCAP cells | 23462715 |
| HL-60 | EC50 | = | 30.0 | nM | 7.52 | Induction of monocytic cell differentiation in human HL60 cells | 23462715 |
| Vitamin D3 receptor | EC50 | = | 40.0 | nM | 7.4 | Agonist activity at VDR (unknown origin) by reporter gene assay | 23462715 |
| Unchecked | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of Hedgehog signaling pathway in VDR-deficient mouse C3H10T1/2 cells ... | 30471551 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29407979 | 10.1016/j.ejmech.2018.01.073 | Unchecked | 5 |
| 30471551 | 10.1016/j.ejmech.2018.11.028 | Unchecked | 4 |
| 30471551 | 10.1016/j.ejmech.2018.11.028 | Vitamin D3 receptor | 3 |
| 23462715 | 10.1016/j.bmc.2013.01.060 | Androgen receptor | 3 |
| 16019211 | 10.1016/j.bmcl.2005.06.044 | Androgen receptor | 2 |
| 23266184 | 10.1016/j.bmc.2012.11.029 | Vitamin D3 receptor | 2 |
| 29407979 | 10.1016/j.ejmech.2018.01.073 | Vitamin D3 receptor | 2 |
| 23462715 | 10.1016/j.bmc.2013.01.060 | Vitamin D3 receptor | 2 |
| 23453218 | 10.1016/j.bmc.2013.01.042 | Vitamin D3 receptor | 2 |
| 34844141 | 10.1016/j.ejmech.2021.114005 | Unchecked | 1 |
| 23462715 | 10.1016/j.bmc.2013.01.060 | HL-60 | 1 |
| 23462715 | 10.1016/j.bmc.2013.01.060 | LNCaP | 1 |
| 23462715 | 10.1016/j.bmc.2013.01.060 | Unchecked | 1 |
| 23266184 | 10.1016/j.bmc.2012.11.029 | HL-60 | 1 |
| 22677528 | 10.1016/j.bmc.2012.05.023 | Vitamin D3 receptor | 1 |
| 16019211 | 10.1016/j.bmcl.2005.06.044 | Unchecked | 1 |
| 16019211 | 10.1016/j.bmcl.2005.06.044 | Vitamin D3 receptor | 1 |
Data from ChEMBL 36 via Core Engine