Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C16H14Cl3N5O |
Molecular Weight | 398.674 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC[C@@H]1CN2C(=N1)C3=C(NC(=N3)C4=CC(Cl)=CC(Cl)=C4Cl)N(C)C2=O
InChI
InChIKey=YYDHUJWLNPIBDS-MRVPVSSYSA-N
InChI=1S/C16H14Cl3N5O/c1-3-8-6-24-15(20-8)12-14(23(2)16(24)25)22-13(21-12)9-4-7(17)5-10(18)11(9)19/h4-5,8H,3,6H2,1-2H3,(H,21,22)/t8-/m1/s1
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL256 Sources: https://www.ncbi.nlm.nih.gov/pubmed/12517430 |
0.433 nM [Ki] | ||
Target ID: CHEMBL226 Sources: https://www.ncbi.nlm.nih.gov/pubmed/12517430 |
1.7 µM [Ki] | ||
Target ID: CHEMBL251 Sources: https://www.ncbi.nlm.nih.gov/pubmed/12517430 |
2.7 µM [Ki] | ||
Target ID: P0DMS8 Gene ID: 140.0 Gene Symbol: ADORA3 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/23359122 |
0.441 nM [Ki] |
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Code System | Code | Type | Description | ||
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2DRZ23E4F7
Created by
admin on Sat Dec 16 19:12:02 GMT 2023 , Edited by admin on Sat Dec 16 19:12:02 GMT 2023
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PRIMARY | |||
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439902-54-2
Created by
admin on Sat Dec 16 19:12:02 GMT 2023 , Edited by admin on Sat Dec 16 19:12:02 GMT 2023
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PRIMARY | |||
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PSB-10
Created by
admin on Sat Dec 16 19:12:02 GMT 2023 , Edited by admin on Sat Dec 16 19:12:02 GMT 2023
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PRIMARY |
ACTIVE MOIETY
SALT/SOLVATE (PARENT)