Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C25H22N6.ClH |
| Molecular Weight | 442.943 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.C1CN(CCN1)C2=CC=C(C=C2)C3=CN4N=CC(=C4N=C3)C5=CC=NC6=CC=CC=C56
InChI
InChIKey=PCCDKTWDGDFRME-UHFFFAOYSA-N
InChI=1S/C25H22N6.ClH/c1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30;/h1-10,15-17,26H,11-14H2;1H
| Molecular Formula | ClH |
| Molecular Weight | 36.461 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C25H22N6 |
| Molecular Weight | 406.4824 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
DescriptionCurator's Comment: description was created based on several sources, including:
https://www.ncbi.nlm.nih.gov/pubmed/18621530; http://www.ncbi.nlm.nih.gov/pubmed/?term=21670081
Curator's Comment: description was created based on several sources, including:
https://www.ncbi.nlm.nih.gov/pubmed/18621530; http://www.ncbi.nlm.nih.gov/pubmed/?term=21670081
LDN193189 is a cell-permeable, highly potent and selective BMP pathway inhibitor. It prevents Smad1, Smad5, and Smad8 phosphorylation. It is a useful tool compound to modulate stem cell differentiation (for example, neural differentiation of human ESC/iPSC in combination with SB431542). LDN-193189 blocks the production of reactive oxygen species induced by oxidized LDL during atherogenesis in human aortic endothelial cells. It was also used in animal models to treat FOP and ectopic ossification, as well as NSCLC lung cancer.
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: P36894 Gene ID: 657.0 Gene Symbol: BMPR1A Target Organism: Homo sapiens (Human) |
30.0 nM [IC50] | ||
Target ID: Q04771 Gene ID: 90.0 Gene Symbol: ACVR1 Target Organism: Homo sapiens (Human) |
5.0 nM [IC50] |
Conditions
| Condition | Modality | Targets | Highest Phase | Product |
|---|---|---|---|---|
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 10:54:47 GMT 2023
by
admin
on
Sat Dec 16 10:54:47 GMT 2023
|
| Record UNII |
PLH51K438W
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
Download
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Common Name | English | ||
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Systematic Name | English | ||
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Systematic Name | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
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FDA ORPHAN DRUG |
393513
Created by
admin on Sat Dec 16 10:54:48 GMT 2023 , Edited by admin on Sat Dec 16 10:54:48 GMT 2023
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| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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54613581
Created by
admin on Sat Dec 16 10:54:48 GMT 2023 , Edited by admin on Sat Dec 16 10:54:48 GMT 2023
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PRIMARY | |||
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PLH51K438W
Created by
admin on Sat Dec 16 10:54:48 GMT 2023 , Edited by admin on Sat Dec 16 10:54:48 GMT 2023
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PRIMARY | |||
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1062368-62-0
Created by
admin on Sat Dec 16 10:54:48 GMT 2023 , Edited by admin on Sat Dec 16 10:54:48 GMT 2023
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PRIMARY |
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SALT/SOLVATE -> PARENT |
| Related Record | Type | Details | ||
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ACTIVE MOIETY |