General Information of Drug (ID: DMOCRYB)

Drug Name
GLPG-1837
Synonyms
GHTGYZMBQPXTCQ-UHFFFAOYSA-N; GLPG1837; 1654725-02-6; SCHEMBL16444982; GLPG 1837; EX-A1819; BCP23611; GLPG-1837(ABBV-974); HY-111099; CS-0034220; N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
Indication
Disease Entry ICD 11 Status REF
Cystic fibrosis CA25 Phase 2 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 348.4
Logarithm of the Partition Coefficient (xlogp) 1.8
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C16H20N4O3S
IUPAC Name
N-(3-carbamoyl-5,5,7,7-tetramethyl-4H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-5-carboxamide
Canonical SMILES
CC1(CC2=C(C(O1)(C)C)SC(=C2C(=O)N)NC(=O)C3=CC=NN3)C
InChI
InChI=1S/C16H20N4O3S/c1-15(2)7-8-10(12(17)21)14(24-11(8)16(3,4)23-15)19-13(22)9-5-6-18-20-9/h5-6H,7H2,1-4H3,(H2,17,21)(H,18,20)(H,19,22)
InChIKey
GHTGYZMBQPXTCQ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
117857370
UNII
MM4S7BD3DF
DrugBank ID
DB16835
TTD ID
D0E0JO

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
cAMP-dependent chloride channel (CFTR) TTRLZHP CFTR_HUMAN Enhancer [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Antibodies and venom peptides: new modalities for ion channels. Nat Rev Drug Discov. 2019 May;18(5):339-357.