Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C22H23ClN6OS |
| Molecular Weight | 454.976 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]12CCN(C)C[C@]1([H])C3=C(C=CC(C)=C3)N2C(=O)CSC4=NN=NN4C5=CC=C(Cl)C=C5
InChI
InChIKey=GJNBAISSZRNGTM-UYAOXDASSA-N
InChI=1S/C22H23ClN6OS/c1-14-3-8-19-17(11-14)18-12-27(2)10-9-20(18)28(19)21(30)13-31-22-24-25-26-29(22)16-6-4-15(23)5-7-16/h3-8,11,18,20H,9-10,12-13H2,1-2H3/t18-,20-/m1/s1
| Molecular Formula | C22H23ClN6OS |
| Molecular Weight | 454.976 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
DescriptionCurator's Comment: Description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/20538600
https://www.ncbi.nlm.nih.gov/pubmed/21918976
Curator's Comment: Description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/20538600
https://www.ncbi.nlm.nih.gov/pubmed/21918976
AG-205 was identified from high-throughput screening as a potent inhibitor of FabK, the enoyl-ACP reductase in Streptococcus pneumoniae. Specific inhibition of lipid biosynthesis in a macromolecular biosynthesis assay and identification of an Ala141Ser substitution in FabK from spontaneous AG205-resistant mutants indicated that AG-205 exerts antibacterial activity against S. pneumoniae through the specific inhibition of FabK. Small molecule AG-205 inhibits Pgrmc1 (Progesterone Receptor Membrane Component 1), a heme-1 domain protein that promotes tumorigenesis. AG-205 arrests growth in lung cancer cells.
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: CHEMBL1075024 |
1.5 µM [IC50] | ||
Target ID: O00264 Gene ID: 10857.0 Gene Symbol: PGRMC1 Target Organism: Homo sapiens (Human) |
Conditions
| Condition | Modality | Targets | Highest Phase | Product |
|---|---|---|---|---|
| Curative | Unknown Approved UseUnknown |
|||
| Primary | Unknown Approved UseUnknown |
PubMed
| Title | Date | PubMed |
|---|---|---|
| Elevated progesterone receptor membrane component 1/sigma-2 receptor levels in lung tumors and plasma from lung cancer patients. | 2012 Jul 15 |
|
| PGRMC1 Elevation in Multiple Cancers and Essential Role in Stem Cell Survival. | 2015 Sep |
|
| A Novel Role for Progesterone Receptor Membrane Component 1 (PGRMC1): A Partner and Regulator of Ferrochelatase. | 2016 Sep 20 |
Patents
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 09:00:27 GMT 2023
by
admin
on
Sat Dec 16 09:00:27 GMT 2023
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| Record UNII |
02137X034H
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| Record Status |
Validated (UNII)
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| Record Version |
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02137X034H
Created by
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442656-02-2
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1202545
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1375078-57-1
Created by
admin on Sat Dec 16 09:00:27 GMT 2023 , Edited by admin on Sat Dec 16 09:00:27 GMT 2023
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ACTIVE MOIETY |
