Details of the Drug

General Information of Drug (ID: DMZMCT0)

Drug Name
Gamma-Carboxy-Glutamic Acid
Synonyms
H-GLA-OH; 53861-57-7; gamma-Carboxyglutamic acid; Gamma-Carboxy-Glutamic Acid; g-carboxyglutamic acid; gamma-Carboxy-L-glutamic acid; L-Gla-OH; H-L-Gla-OH; (S)-3-Aminopropane-1,1,3-tricarboxylic acid; (3S)-3-aminopropane-1,1,3-tricarboxylic acid; CHEMBL38397; CHEBI:41450; (3S)-3-amino-1,1,3-propanetricarboxylic acid; gamma-carboxy-glutamic acid zwitterion; EINECS 258-825-9; AC1Q5RNZ; H-Gamma-Carboxy-Glu-OH; AC1L2X6R; SCHEMBL39093; 1,1,3-Propanetricarboxylic acid, 3-amino-, (3S)-; CTK1H2562; UHBYWPGGCSDKFX-VKHMYHEASA-N
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) 191.14
Logarithm of the Partition Coefficient (xlogp) -3.7
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C6H9NO6
IUPAC Name
(3S)-3-aminopropane-1,1,3-tricarboxylic acid
Canonical SMILES
C([C@@H](C(=O)O)N)C(C(=O)O)C(=O)O
InChI
InChI=1S/C6H9NO6/c7-3(6(12)13)1-2(4(8)9)5(10)11/h2-3H,1,7H2,(H,8,9)(H,10,11)(H,12,13)/t3-/m0/s1
InChIKey
UHBYWPGGCSDKFX-VKHMYHEASA-N
Cross-matching ID
PubChem CID
104625
ChEBI ID
CHEMBL41450
CAS Number
53861-57-7
UNII
16FQV4RZKL
DrugBank ID
DB03847
TTD ID
D06UUK

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Coagulation factor IIa (F2) TT6L509 THRB_HUMAN Inhibitor [1]
Coagulation factor IX (F9) TTFEZ5Q FA9_HUMAN Inhibitor [1]
Coagulation factor Xa (F10) TTCIHJA FA10_HUMAN 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.