Details of the Drug

General Information of Drug (ID: DMJ4GPR)

• Drug Name: AMP-579
• Synonyms: RPR-100579; (1S,2R,3S,4R)-4-[7-[1(R)-(3-Chloro-2-thienylmethyl)propylamino]-3H-imidazo[4,5-b]pyridin-3-yl]-N-ethyl-2,3-dihydroxycyclopentane-1-carboxamide

Indication

Disease Entry	ICD 11	Status	REF
Hyperlipidaemia	5C80	Phase 2	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 478
  Logarithm of the Partition Coefficient (xlogp); 3.3
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C22H28ClN5O3S
  IUPAC Name: (1S,2R,3S,4R)-4-[4-[[(2R)-1-(3-chlorothiophen-2-yl)butan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-N-ethyl-2,3-dihydroxycyclopentane-1-carboxamide
  Canonical SMILES: CC[C@H](CC1=C(C=CS1)Cl)NC2=C3C=CN(C3=NC=N2)[C@@H]4C[C@@H]([C@H]([C@H]4O)O)C(=O)NCC
  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+/m1/s1
  InChIKey: CKQOOYMMAAPDKH-QODLLSGVSA-N
• Cross-matching ID:
  PubChem CID: 72941762
  CAS Number: 213453-89-5
  TTD ID: D0QH7H
• Drug ADMET Endpoint Profile (DAE)NEW: Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adenosine A1 receptor (ADORA1)	TTK25J1	AA1R_HUMAN	Modulator	[2]
Adenosine A2a receptor (ADORA2A)	TTM2AOE	AA2AR_HUMAN	Modulator	[2]

References

• [1] Recent developments in adenosine receptor ligands and their potential as novel drugs. Biochim Biophys Acta. 2011 May; 1808(5): 1290-1308.
• [2] Adenosine A1/A2a receptor agonist AMP-579 induces acute and delayed preconditioning against in vivo myocardial stunning. Am J Physiol Heart Circ Physiol. 2004 Dec;287(6):H2746-53.