General Information of Drug (ID: DM5BFJO)

Drug Name
CS-W011402
Synonyms
DICHLOROBIS[DI-TERT-BUTYL(4-DIMETHYLAMINOPHENYL)PHOSPHINO]PALLADIUM(II); bis(di-tert-butyl(4-dimethylaminophenyl)-phosphine)dichloropalladium(II); DICHLOROBIS[DI-TERT-BUTYL(4-DIMETHYLAMINOPHENYL)PHOSPHINE]PALLADIUM(II); SCHEMBL113074; US9598421, Example 8; KS-00000ESS; AWOFSUFKCXRJMV-UHFFFAOYSA-N; XRZMZNIQMNUFBE-UHFFFAOYSA-L; AJBUBMMXJAOMTF-UHFFFAOYSA-N; BDBM302439; CS-W011402; bis(di-tert-butyl(4-dimethylaminophenyl)phosphino)dichloropalladium; dichloro(bis{di-tert-butyl[4-(dimethylamino)phenyl]phosphoranyl})palladium
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
1
Molecular Weight 710.1
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Chemical Identifiers
Formula
C32H58Cl2N2P2Pd+2
IUPAC Name
ditert-butyl-[4-(dimethylamino)phenyl]phosphanium;dichloropalladium
Canonical SMILES
CC(C)(C)[PH+](C1=CC=C(C=C1)N(C)C)C(C)(C)C.CC(C)(C)[PH+](C1=CC=C(C=C1)N(C)C)C(C)(C)C.Cl[Pd]Cl
InChI
InChI=1S/2C16H28NP.2ClH.Pd/c2*1-15(2,3)18(16(4,5)6)14-11-9-13(10-12-14)17(7)8;;;/h2*9-12H,1-8H3;2*1H;/q;;;;+2
InChIKey
DWOZNANUEDYIOF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
58567970
TTD ID
D0W5OE

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Phosphodiesterase 4C (PDE4C) TT6A59G PDE4C_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Imidazopyridazine compounds. US9598421.