Details of the Drug

General Information of Drug (ID: DMW1YK3)

Drug Name
Lysine Nz-Carboxylic Acid
Synonyms Lysine Nz-Carboxylic Acid; N(6)-carboxylysine; N(6)-carboxy-L-lysine; (2S)-2-amino-6-(carboxyamino)hexanoic acid; N~6~-carboxy-L-lysine; SCHEMBL357483; CHEBI:43575; ZINC6753301
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) 190.2
Logarithm of the Partition Coefficient (xlogp) -2.7
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C7H14N2O4
IUPAC Name
(2S)-2-amino-6-(carboxyamino)hexanoic acid
Canonical SMILES
C(CCNC(=O)O)C[C@@H](C(=O)O)N
InChI
InChI=1S/C7H14N2O4/c8-5(6(10)11)3-1-2-4-9-7(12)13/h5,9H,1-4,8H2,(H,10,11)(H,12,13)/t5-/m0/s1
InChIKey
PWIKLEYMFKCERQ-YFKPBYRVSA-N
Cross-matching ID
PubChem CID
17754054
ChEBI ID
CHEMBL43575
UNII
J9ET8AZ2P7
DrugBank ID
DB03801
TTD ID
D0CC0B

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Cyclin-dependent kinase 2 (CDK2) TT7HF4W CDK2_HUMAN Inhibitor [1]
Mycobacterium Biosynthetic alanine racemase (MycB alr) TT6TMZU ALR_MYCSM Inhibitor [1]
Plasmodium Dihydroorotase (Malaria dho) TT09NOX A9CSR1_PLAFA Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Cyclin-dependent kinase 2 (CDK2) DTT CDK2 2.28E-06 0.12 0.19
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

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