Details of the Drug

General Information of Drug (ID: DM7SDNI)

Drug Name
PMID10395480C6
Synonyms GTPL8632
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 328.41
Logarithm of the Partition Coefficient (xlogp) -0.9
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C15H28N4O4
IUPAC Name
(2S)-1-[(2R,3S)-3-amino-2-hydroxy-5-methylhexanoyl]-N-[(2S)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
Canonical SMILES
C[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([C@H](CC(C)C)N)O
InChI
InChI=1S/C15H28N4O4/c1-8(2)7-10(16)12(20)15(23)19-6-4-5-11(19)14(22)18-9(3)13(17)21/h8-12,20H,4-7,16H2,1-3H3,(H2,17,21)(H,18,22)/t9-,10-,11-,12+/m0/s1
InChIKey
PDGQBIYMLALKTR-FIQHERPVSA-N
Cross-matching ID
PubChem CID
10336627
ChEBI ID
CHEMBL2369858
TTD ID
D0CG7Q
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
X-prolyl aminopeptidase 2 (XPNPEP2) TTI9MBZ XPP2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Apstatin analogue inhibitors of aminopeptidase P, a bradykinin-degrading enzyme. J Med Chem. 1999 Jul 1;42(13):2394-402.