Details of the Drug

General Information of Drug (ID: DMMDU0K)

Drug Name
GM-109
Synonyms GM109; GM 109
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): 2 Molecular Weight (mw) 565.7
Logarithm of the Partition Coefficient (xlogp) 2.7
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 6
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C31H43N5O5
IUPAC Name
(2S)-2-amino-N-[(2S,13S)-2-[(3-tert-butyl-4-hydroxyphenyl)methyl]-3,7,14-trioxo-1,4,8-triazacyclotetradec-13-yl]-3-phenylpropanamide
Canonical SMILES
CC(C)(C)C1=C(C=CC(=C1)C[C@H]2C(=O)NCCC(=O)NCCCC[C@@H](C(=O)N2)NC(=O)[C@H](CC3=CC=CC=C3)N)O
InChI
InChI=1S/C31H43N5O5/c1-31(2,3)22-17-21(12-13-26(22)37)19-25-29(40)34-16-14-27(38)33-15-8-7-11-24(30(41)36-25)35-28(39)23(32)18-20-9-5-4-6-10-20/h4-6,9-10,12-13,17,23-25,37H,7-8,11,14-16,18-19,32H2,1-3H3,(H,33,38)(H,34,40)(H,35,39)(H,36,41)/t23-,24-,25-/m0/s1
InChIKey
RRXAKVUZGASTMY-SDHOMARFSA-N
Cross-matching ID
PubChem CID
9850904
TTD ID
D0F5QL

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Motilin receptor (MLNR) TT953CX MTLR_HUMAN Antagonist [2]
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
Motilin receptor (MLNR) DTT MLNR 6.35E-02 -0.06 -0.27
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression 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: 1466).
2 Design and synthesis of motilin antagonists derived from the [1-4] fragment of porcine motilin. J Med Chem. 2002 Jan 31;45(3):670-5.