Compound - Results

Fluspirilene

Java required.


Information Structure
Name Fluspirilene
Synonyms
1-Phenyl-4-oxo-8-(4,4-bis(4-fluorophenyl)butyl)-1,3,8-triazaspiro(4,5)decane
5-26-04-00097 (Beilstein Handbook Reference)
8-(4,4-Bis(p-fluorophenyl)butyl)-1-phenyl-1,3,8-triazaspiro-(4.5)decan-4-one
BRN 0633853
EINECS 217-418-6
Fluspirilene
Fluspirileno
Fluspirilenum
Imap
McN-JR-6218
R 6218
Redeptin
ATC N05AG01
CID 3396
CAS 001841196
Drugbank ID DB04842
TTD Drug ID DAP000980
SMILES FC1=CC=C(C=C1)C(CCCN2CC[C@@]3(CC2)N(CNC3=O)C4=CC=CC=C4)C5=CC=C(F)C=C5
Formula C29H31F2N3O
Molweight 475.573
Atoms 35
LogP 5.6371
Rotatable Bonds 7
H-Bond Donors 0
H-Bond Acceptors 5
Transporter
AC-No.NameReferences
Q05940Monoamine transporter 1279122
Pimozide

Java required.


Information Structure
Name Pimozide
Synonyms
1-(1-(4,4-Bis(p-fluorophenyl)butyl)-4-piperidyl)-2-benzimidazolinone
1-(4,4-Bis(p-fluorophenyl)butyl)-4-(2-oxo-1-benzimidazolinyl)piperidine
5-24-02-00367 (Beilstein Handbook Reference)
BRN 0729089
EINECS 218-171-7
McN-JR-6238
NSC 170984
Opiran
Orap
Pimozide
Pimozidum
Primozida
R 6238
ATC N05AG02
CID 16362
CAS 002062784
Drugbank ID DB01100
TTD Drug ID DAP000316
SMILES FC1=CC=C(C=C1)C(CCCN2CC[C@@H](CC2)N3C(=O)NC4=C3C=CC=C4)C5=CC=C(F)C=C5
Formula C28H29F2N3O
Molweight 461.546
Atoms 34
LogP 5.7949
Rotatable Bonds 7
H-Bond Donors 0
H-Bond Acceptors 5
CYP interactions
NameRelationsReferences
1A2Substrate 9580580
umm
2C19Inhibitor umm
2D6Inhibitor 9580580
9580580
2E1Inhibitor umm
3A4Substrate Inhibitor 9580580
9951426
11584332
umm
9580580
3A5Substrate medicine.iupui.edu/flockhart
3A7Substrate medicine.iupui.edu/flockhart
Transporter
AC-No.NameReferences
Q05940Monoamine transporter 1279122
Extrarenal fraction 1
Elimination half-life 50h
Penfluridol

Java required.


Information Structure
Name Penfluridol
Synonyms
1-(4,4-Bis(p-fluorophenyl)butyl)-4-(4-chloro-alpha,alpha,alpha-trifluoro-m-tolyl)-4-piperidinol
5-21-02-00409 (Beilstein Handbook Reference)
BRN 1558826
EINECS 248-074-5
McN-JR-16,341
Penfluridol
Penfluridolum
R 16341
Semap
TLP-607
ATC N05AG03
CID 33630
CAS 026864562
TTD Drug ID DNC001108
SMILES O[C@@]1(CCN(CCCC(C2=CC=C(F)C=C2)C3=CC=C(F)C=C3)CC1)C4=CC(=C(Cl)C=C4)C(F)(F)F
Formula C28H27ClF5NO
Molweight 523.965
Atoms 36
LogP 7.4706
Rotatable Bonds 8
H-Bond Donors 0
H-Bond Acceptors 7
Transporter
AC-No.NameReferences
Q05940Monoamine transporter 1279122