Details of the Drug

General Information of Drug (ID: DMZQXLS)

• Drug Name: N-Trimethyllysine
• Synonyms: N-TRIMETHYLLYSINE; Trimethyllysine; epsilon-Trimethyllysine; N(epsilon)-Trimethyllysine; epsilon-Trimethyl-L-lysine; epsilon-N-Trimethyl-L-lysine; UNII-3YGF0495O2; CHEBI:17311; 3YGF0495O2; (S)-5-Amino-5-carboxy-N,N,N-trimethyl-1-pentanaminium; 19253-88-4; 1-Pentanaminium, 5-amino-5-carboxy-N,N,N-trimethyl-, (S)-; M3L; (S)-2-amino-6-(trimethylammonio)hexanoic acid; N-N-N-Trimethyllysine; N-epsilon-trimethyllysine; epsilon-N-Trimethyllysine; AC1L98PV; SCHEMBL181192; CHEMBL1234168; MXNRLFUSFKVQSK-QMMMGPOBSA-O; ZINC1529747

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 189.28
  Logarithm of the Partition Coefficient (xlogp); -2.1
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C9H21N2O2+
  IUPAC Name: [(5S)-5-amino-5-carboxypentyl]-trimethylazanium
  Canonical SMILES: C[N+](C)(C)CCCC[C@@H](C(=O)O)N
  InChI: InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1
  InChIKey: MXNRLFUSFKVQSK-QMMMGPOBSA-O
• Cross-matching ID:
  PubChem CID: 440121
  ChEBI ID: CHEBI:17311
  CAS Number: 19253-88-4
  DrugBank ID: DB03977
  TTD ID: D01UJL

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Calmodulin (CALM)	TTV3NH6	CALM1_HUMAN ; CALM2_HUMAN ; CALM3_HUMAN	Inhibitor	[1]

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
Calmodulin (CALM)	DTT	CALM	6.44E-01	0.09	0.15
Calmodulin (CALM)	DTT	CALM	5.89E-01	-3.28E-04	-1.09E-03

References

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