Details of the Drug

General Information of Drug (ID: DMH5LKS)

Drug Name
CPA-926
Synonyms 6-(2-Acetamido-2-deoxy-beta-D-glucopyranosyloxy)-7-hydroxy-2H-1-benzopyran-2-one
Indication
Disease Entry ICD 11 Status REF
Arthritis FA20 Discontinued in Phase 2 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 381.3
Logarithm of the Partition Coefficient (xlogp) -0.6
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 5
Hydrogen Bond Acceptor Count (hbondacc) 9
Chemical Identifiers
Formula
C17H19NO9
IUPAC Name
N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(7-hydroxy-2-oxochromen-6-yl)oxyoxan-3-yl]acetamide
Canonical SMILES
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=C(C=C3C(=C2)C=CC(=O)O3)O)CO)O)O
InChI
InChI=1S/C17H19NO9/c1-7(20)18-14-16(24)15(23)12(6-19)27-17(14)26-11-4-8-2-3-13(22)25-10(8)5-9(11)21/h2-5,12,14-17,19,21,23-24H,6H2,1H3,(H,18,20)/t12-,14-,15-,16-,17-/m1/s1
InChIKey
OTXAWKXSJDFGID-LMHBHQSJSA-N
Cross-matching ID
PubChem CID
9800054
TTD ID
D0G6PG

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Lipoxygenase (ALOX) TTG3K2U NOUNIPROTAC Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800018063)
2 Esculetin (dihydroxycoumarin) inhibits the production of matrix metalloproteinases in cartilage explants, and oral administration of its prodrug, CPA-926, suppresses cartilage destruction in rabbit experimental osteoarthritis. J Rheumatol. 1999 Mar;26(3):654-62.