Details of the Drug

General Information of Drug (ID: DM8FTJN)

Drug Name
Glycyl-L-Alpha-Amino-Epsilon-Pimelyl-D-Alanine
Synonyms GLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-D-ALANINE; REY; AC1L9JH9; DB03927; (2S)-2-[(2-aminoacetyl)amino]-7-[[(2R)-1-hydroxy-1-oxopropan-2-yl]amino]-7-oxoheptanoic acid
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 303.31
Logarithm of the Partition Coefficient (xlogp) -3.7
Rotatable Bond Count (rotbonds) 10
Hydrogen Bond Donor Count (hbonddonor) 5
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C12H21N3O6
IUPAC Name
(2S)-2-[(2-aminoacetyl)amino]-7-[[(1R)-1-carboxyethyl]amino]-7-oxoheptanoic acid
Canonical SMILES
C[C@H](C(=O)O)NC(=O)CCCC[C@@H](C(=O)O)NC(=O)CN
InChI
InChI=1S/C12H21N3O6/c1-7(11(18)19)14-9(16)5-3-2-4-8(12(20)21)15-10(17)6-13/h7-8H,2-6,13H2,1H3,(H,14,16)(H,15,17)(H,18,19)(H,20,21)/t7-,8+/m1/s1
InChIKey
ZMQJQOKNTYQVHO-SFYZADRCSA-N
Cross-matching ID
PubChem CID
446307
DrugBank ID
DB03927
TTD ID
D07CUI

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Bacterial DD-carboxypeptidase (Bact vanYB) TTLP6GN VANY_ENTFA Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.