General Information of the Compound
Compound ID
CP0138270
Compound Name
N-(3-carbamoyl-5,5,7,7-tetramethyl-4H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-5-carboxamide
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Synonyms
1654725-02-6
BCP23611
CS-0034220
EX-A1819
GHTGYZMBQPXTCQ-UHFFFAOYSA-N
GLPG 1837
GLPG-1837
GLPG-1837(ABBV-974)
GLPG1837
HY-111099
N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
SCHEMBL16444982
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Structure
Formula
C16H20N4O3S
Molecular Weight
348.428
Canonical SMILES
CC1(C)Cc2c(sc(NC(=O)c3ccn[nH]3)c2C(N)=O)C(C)(C)O1
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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)
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InChIKey
GHTGYZMBQPXTCQ-UHFFFAOYSA-N
Physicochemical Property
logP
2.4088
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
110.1
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
24

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 117857370
ChEMBL ID
CHEMBL4075348
DrugBank ID
DB16835
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02042, Cystic fibrosis transmembrane conductance regulator
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 339 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( GLPG-1837 )
Drug Name GLPG-1837
Company Galapagos, AbbVie
Indication
Cystic fibrosis
Phase 2
Target(s)
cAMP-dependent chloride channel (CFTR)
Enhancer