Details of the Drug

General Information of Drug (ID: DMLM02I)

Drug Name
GFPDGG
Synonyms CHEMBL261622; GFPDGG
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): 4 Molecular Weight (mw) 548.5
Logarithm of the Partition Coefficient (xlogp) -4.4
Rotatable Bond Count (rotbonds) 14
Hydrogen Bond Donor Count (hbonddonor) 7
Hydrogen Bond Acceptor Count (hbondacc) 10
Chemical Identifiers
Formula
C24H32N6O9
IUPAC Name
(3S)-3-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-[[2-(carboxymethylamino)-2-oxoethyl]amino]-4-oxobutanoic acid
Canonical SMILES
C1C[C@H](N(C1)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)CN)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)NCC(=O)O
InChI
InChI=1S/C24H32N6O9/c25-11-18(31)28-16(9-14-5-2-1-3-6-14)24(39)30-8-4-7-17(30)23(38)29-15(10-20(33)34)22(37)27-12-19(32)26-13-21(35)36/h1-3,5-6,15-17H,4,7-13,25H2,(H,26,32)(H,27,37)(H,28,31)(H,29,38)(H,33,34)(H,35,36)/t15-,16-,17-/m0/s1
InChIKey
NLYXJKKWVSCTSP-ULQDDVLXSA-N
Cross-matching ID
PubChem CID
24873518
TTD ID
D03CYY

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
HMG-CoA reductase (HMGCR) TTPADOQ HMDH_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
HMG-CoA reductase (HMGCR) DTT HMGCR 1.01E-05 0.65 1.53
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Binding effect and design of a competitive inhibitory peptide for HMG-CoA reductase through modeling of an active peptide backbone. Bioorg Med Chem. 2008 Feb 1;16(3):1309-18.