Details of the Drug

General Information of Drug (ID: DM129T7)

Drug Name
CROMOGLYCATE LISETIL HYDROCHLORIDE
Synonyms Diethyl L-lysylcromoglycate dihydrochloride; KY-556; N-556; Cromoglycate lisetil hydrochloride
Indication
Disease Entry ICD 11 Status REF
Asthma CA23 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 3 Molecular Weight (mw) 652.6
Topological Polar Surface Area (xlogp) 3.1
Rotatable Bond Count (rotbonds) 19
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 14
Chemical Identifiers
Formula
C33H36N2O12
IUPAC Name
ethyl 5-[2-[(2S)-2,6-diaminohexanoyl]oxy-3-(2-ethoxycarbonyl-4-oxochromen-5-yl)oxypropoxy]-4-oxochromene-2-carboxylate
Canonical SMILES
CCOC(=O)C1=CC(=O)C2=C(O1)C=CC=C2OCC(COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)OCC)OC(=O)[C@H](CCCCN)N
InChI
InChI=1S/C33H36N2O12/c1-3-41-32(39)27-15-21(36)29-23(10-7-12-25(29)46-27)43-17-19(45-31(38)20(35)9-5-6-14-34)18-44-24-11-8-13-26-30(24)22(37)16-28(47-26)33(40)42-4-2/h7-8,10-13,15-16,19-20H,3-6,9,14,17-18,34-35H2,1-2H3/t20-/m0/s1
InChIKey
NGJJDHCBOKNREV-FQEVSTJZSA-N
Cross-matching ID
PubChem CID
196639
ChEBI ID
CHEBI:31438
CAS Number
110816-79-0
TTD ID
D0VZ9S

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Calcium-activated potassium channel KCa1.1 (KCNMA1) TTE87WJ KCMA1_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Asthma
ICD Disease Classification CA23
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Calcium-activated potassium channel KCa1.1 (KCNMA1) DTT KCNMA1 4.48E-03 0.19 0.7
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 ClinicalTrials.gov (NCT01722812) Cromoglicate in Psoriasis. U.S. National Institutes of Health.
2 The significance of chloride in the inhibitory action of disodium cromoglycate on immunologically-stimulated rat peritoneal mast cells. Biochim Biophys Acta. 2011 Sep;1810(9):867-74.