Details of the Drug

General Information of Drug (ID: DMUSAYG)

Drug Name
GNF-PF-173
Synonyms
10-Deazaaminopterin; 10-Deazaminopterin; 10-Deaza-aminopterin; GNF-PF-173; UNII-PXJ16PPE04; NSC 311469; PXJ16PPE04; CHEMBL293263; L-Glutamic acid, N-(4-(2-(2,4-diamino-6-pteridinyl)ethyl)benzoyl)-; L-Glutamic acid, N-[4-[2-(2,4-diamino-6-pteridinyl)ethyl]benzoyl]-; 52454-37-2; AC1L2OWJ; AC1Q5QQQ; 10-DAM; SCHEMBL7081697; BDBM50016461; LS-187417; LS-186724; (2S)-2-[[4-[2-(2,4-diaminopteridin-6-yl)ethyl]benzoyl]amino]pentanedioic acid; (S)-2-{4-[2-(2,4-Diamino-pteridin-6-yl)-ethyl]-benzoylamino}-pentanedioic 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) 439.4
Logarithm of the Partition Coefficient (xlogp) -1.3
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 5
Hydrogen Bond Acceptor Count (hbondacc) 11
Chemical Identifiers
Formula
C20H21N7O5
IUPAC Name
(2S)-2-[[4-[2-(2,4-diaminopteridin-6-yl)ethyl]benzoyl]amino]pentanedioic acid
Canonical SMILES
C1=CC(=CC=C1CCC2=CN=C3C(=N2)C(=NC(=N3)N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChI
InChI=1S/C20H21N7O5/c21-16-15-17(27-20(22)26-16)23-9-12(24-15)6-3-10-1-4-11(5-2-10)18(30)25-13(19(31)32)7-8-14(28)29/h1-2,4-5,9,13H,3,6-8H2,(H,25,30)(H,28,29)(H,31,32)(H4,21,22,23,26,27)/t13-/m0/s1
InChIKey
LGFLRHWJJKLPCC-ZDUSSCGKSA-N
Cross-matching ID
PubChem CID
100516
CAS Number
52454-37-2
TTD ID
D0LH5P

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Polypeptide deformylase (PDF) TT9SL3Q DEFM_HUMAN 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
Polypeptide deformylase (PDF) DTT PDF 8.87E-16 -0.54 -0.86
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Synthesis and biological evaluation of poly-gamma-glutamyl metabolites of 10-deazaaminopterin and 10-ethyl-10-deazaaminopterin. J Med Chem. 1988 Jan;31(1):181-5.