Details of the Drug

General Information of Drug (ID: DMJ6GU9)

Drug Name
US10059720, Example 82
Synonyms SCHEMBL17303611; BDBM271267; US10059720, Example 82
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 350.5
Logarithm of the Partition Coefficient (xlogp) 0.3
Rotatable Bond Count (rotbonds) 10
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C19H30N2O4
IUPAC Name
(2R,3S)-3-amino-2-[[4-[(2R)-1-cyclopropylpropan-2-yl]oxypyridin-2-yl]methyl]-2-hydroxy-5-methylhexanoic acid
Canonical SMILES
C[C@H](CC1CC1)OC2=CC(=NC=C2)C[C@@]([C@H](CC(C)C)N)(C(=O)O)O
InChI
InChI=1S/C19H30N2O4/c1-12(2)8-17(20)19(24,18(22)23)11-15-10-16(6-7-21-15)25-13(3)9-14-4-5-14/h6-7,10,12-14,17,24H,4-5,8-9,11,20H2,1-3H3,(H,22,23)/t13-,17+,19-/m1/s1
InChIKey
YLKHAUHZCVMCJX-XVGQJIODSA-N
Cross-matching ID
PubChem CID
118549467
ChEBI ID
CHEMBL6037274
TTD ID
D05ZEZ
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
Leucyl-cysteinyl aminopeptidase (LNPEP) TTY2KP7 LCAP_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Pyridine derivative. US10059720.