Details of the Drug

General Information of Drug (ID: DM5BMA9)

Drug Name

ONO-8809

Synonyms

[1S-(1alpha,2beta(Z),3beta,4alpha)]-6-[3-[[[(4-Bromophenyl)sulfonyl]amino]methyl]bicyclo[2.2.1]hept-2-yl]-5-hexenoic acid decyl ester; (Z)-6-[(1S,2S,3S,4R)-3-(4-Bromobenzenesulfonylaminomethyl)bicyclo[2.2.1]hept-2-yl]-5-hexenoic acid n-decyl ester

Indication

Disease Entry	ICD 11	Status	REF
Thrombosis	DB61-GB90	Investigative	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 3

Molecular Weight (mw)

596.7

Logarithm of the Partition Coefficient (xlogp)

9.2

Rotatable Bond Count (rotbonds)

19

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C30H46BrNO4S
IUPAC Name: decyl (Z)-6-[(1S,2R,3R,4R)-3-[[(4-bromophenyl)sulfonylamino]methyl]-2-bicyclo[2.2.1]heptanyl]hex-5-enoate
Canonical SMILES: CCCCCCCCCCOC(=O)CCC/C=C\\[C@H]1[C@H]2CC[C@H](C2)[C@H]1CNS(=O)(=O)C3=CC=C(C=C3)Br
InChI: InChI=1S/C30H46BrNO4S/c1-2-3-4-5-6-7-8-12-21-36-30(33)14-11-9-10-13-28-24-15-16-25(22-24)29(28)23-32-37(34,35)27-19-17-26(31)18-20-27/h10,13,17-20,24-25,28-29,32H,2-9,11-12,14-16,21-23H2,1H3/b13-10-/t24-,25+,28-,29+/m0/s1
InChIKey: KLMMNRLRCVRTDN-WHFHORQSSA-N