Details of the Drug

General Information of Drug (ID: DM0UEKF)

Drug Name
BAY-Y-1015
Indication
Disease Entry ICD 11 Status REF
Inflammation 1A00-CA43.1 Discontinued in Phase 1 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 466.6
Logarithm of the Partition Coefficient (xlogp) 5.8
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C26H30N2O4S
IUPAC Name
(2R)-2-cycloheptyl-N-methylsulfonyl-2-[4-(quinolin-2-ylmethoxy)phenyl]acetamide
Canonical SMILES
CS(=O)(=O)NC(=O)[C@H](C1CCCCCC1)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3
InChI
InChI=1S/C26H30N2O4S/c1-33(30,31)28-26(29)25(20-9-4-2-3-5-10-20)21-13-16-23(17-14-21)32-18-22-15-12-19-8-6-7-11-24(19)27-22/h6-8,11-17,20,25H,2-5,9-10,18H2,1H3,(H,28,29)/t25-/m1/s1
InChIKey
YAWBFCPZMALJCE-RUZDIDTESA-N
Cross-matching ID
PubChem CID
9825810
CAS Number
133012-05-2
TTD ID
D0Y3RN

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Leukotriene receptor (LTR) TTTWGIX 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 800005124)
2 The effect of leukotriene synthesis inhibitors in models of acute and chronic inflammation. Arthritis Rheum. 1996 Mar;39(3):515-21.