AMP579

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN

Structure
InChI Key CKQOOYMMAAPDKH-NXKGBEFYSA-N
Smile CCNC(=O)[C@H]1CC(n2ccc3c(NC(CC)Cc4sccc4Cl)ncnc32)[C@H](O)[C@@H]1O
InChI
InChI=1S/C22H28ClN5O3S/c1-3-12(9-17-15(23)6-8-32-17)27-20-13-5-7-28(21(13)26-11-25-20)16-10-14(18(29)19(16)30)22(31)24-4-2/h5-8,11-12,14,16,18-19,29-30H,3-4,9-10H2,1-2H3,(H,24,31)(H,25,26,27)/t12?,14-,16?,18+,19-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H28ClN5O3S
Molecular Weight 478.02
AlogP 3.0
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 8.0
Polar Surface Area 112.3
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 32.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Adenosine A1 receptor agonist PubMed

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3545163
CONTENTS