Details of the Drug

General Information of Drug (ID: DMVRWL6)

Drug Name
propargylglycine
Synonyms
2-(Prop-2-ynylamino)acetic acid; Glycine,N-2-propyn-1-yl-; 58160-95-5; Acetic acid, 2-(prop-2-ynylamino)-; NSC692226; 2-[(prop-2-yn-1-yl)amino]acetic acid; (2-Propynylamino)acetic acid; Propargyl-glycine; AC1L4HR4; SCHEMBL44356; GTPL5247; CHEMBL1993296; CTK5A7939; DTXSID90206892; ZINC1858411; AKOS009210257; NSC-692226; AC-6385; SC-10419; NCI60_033077; KB-50364; SC-65650; TL8001634; FT-0764746; I04-0895; I04-0888
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 113.11
Logarithm of the Partition Coefficient (xlogp) -1.8
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C5H7NO2
IUPAC Name
2-(prop-2-ynylamino)acetic acid
Canonical SMILES
C#CCNCC(=O)O
InChI
InChI=1S/C5H7NO2/c1-2-3-6-4-5(7)8/h1,6H,3-4H2,(H,7,8)
InChIKey
XSJLQGMTIHCDSS-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
185909
CAS Number
58160-95-5
TTD ID
D06HNS
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Cystathionine gamma-lyase (CTH) TTLQUZS CGL_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 5247).
2 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 1444).