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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
Structure of PSB-10

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

HIDE SMILES / InChI

Molecular Formula C16H14Cl3N5O
Molecular Weight 398.674
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
0.433 nM [Ki]
1.7 µM [Ki]
2.7 µM [Ki]
Target ID: P0DMS8
Gene ID: 140.0
Gene Symbol: ADORA3
Target Organism: Homo sapiens (Human)
0.441 nM [Ki]
PubMed

PubMed

TitleDatePubMed
Adenosine receptor subtype-selective antagonists in inflammation and hyperalgesia.
2008 Mar
Antiproliferative effects of selective adenosine receptor agonists and antagonists on human lymphocytes: evidence for receptor-independent mechanisms.
2013 Sep
Substance Class Chemical
Created
by admin
on Sat Dec 16 19:12:02 UTC 2023
Edited
by admin
on Sat Dec 16 19:12:02 UTC 2023
Record UNII
2DRZ23E4F7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PSB-10
Common Name English
5H-IMIDAZO(2,1-I)PURIN-5-ONE, 8-ETHYL-3,4,7,8-TETRAHYDRO-4-METHYL-2-(2,3,5-TRICHLOROPHENYL)-, (8R)-
Systematic Name English
5H-IMIDAZO(2,1-I)PURIN-5-ONE, 8-ETHYL-1,4,7,8-TETRAHYDRO-4-METHYL-2-(2,3,5-TRICHLOROPHENYL)-, (8R)-
Systematic Name English
Code System Code Type Description
FDA UNII
2DRZ23E4F7
Created by admin on Sat Dec 16 19:12:02 UTC 2023 , Edited by admin on Sat Dec 16 19:12:02 UTC 2023
PRIMARY
CAS
439902-54-2
Created by admin on Sat Dec 16 19:12:02 UTC 2023 , Edited by admin on Sat Dec 16 19:12:02 UTC 2023
PRIMARY
WIKIPEDIA
PSB-10
Created by admin on Sat Dec 16 19:12:02 UTC 2023 , Edited by admin on Sat Dec 16 19:12:02 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
Ki
TARGET->INVERSE AGONIST
[35S]GTPγS binding assay using hA3-CHO-cells indicated that PSB-10 acts as an inverse agonist (IC50 = 4 nM).
IC50
Related Record Type Details
ACTIVE MOIETY