General Information of the Compound
Compound ID
CP0094782
Compound Name
2-{3-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-propyl}-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide
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Synonyms
RP 62203
127625-29-0
2-(3-(4-(4-fluorophenyl)-1-piperazinyl)propyl)-2H-naphth(1,8-cd)isothiazole 1,1-dioxide
2-(3-(4-(p-Fluorophenyl)-1-piperazinyl)propyl)-2H-naphth(1,8-cd)isothiazole 1,1-dioxide
2H-Naphth(1,8-cd)isothiazole, 2-(3-(4-(4-fluorophenyl)-1-piperazinyl)propyl)-, 1,1-dioxide
38QJ762ET6
AC1L1TX5
C23H24FN3O2S
CAS-127625-29-0
CHEMBL83894
DSSTox_CID_26743
DSSTox_GSID_46743
DSSTox_RID_81871
Fananserin
Fananserin (USAN/INN)
Fananserin [USAN:INN]
NCGC00167808-01
RP 62203
RP-62203
UNII-38QJ762ET6
VGIGHGMPMUCLIQ-UHFFFAOYSA-N
[3H]RP-62203
[3H]RP62203
[3H]fananserin
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Structure
Formula
C23H24FN3O2S
Molecular Weight
425.529
Canonical SMILES
Fc1ccc(cc1)N1CCN(CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
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InChI
InChI=1S/C23H24FN3O2S/c24-19-8-10-20(11-9-19)26-16-14-25(15-17-26)12-3-13-27-21-6-1-4-18-5-2-7-22(23(18)21)30(27,28)29/h1-2,4-11H,3,12-17H2
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InChIKey
VGIGHGMPMUCLIQ-UHFFFAOYSA-N
CAS
127625-29-0
Physicochemical Property
logP
3.6999
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
43.86
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
30

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 60785
SID: 14856245
ChEMBL ID
CHEMBL83894
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 0.04 nM
   TI
   LI
   LO
   TS
CL000806 HEK298 Homo sapiens (Human)  1
1
Ki = 0.37 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 0.04 nM
Protein ID: PT01492, 5-hydroxytryptamine receptor 2A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 0.06 nM
   TI
   LI
   LO
   TS
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 1 nM
   TI
   LI
   LO
   TS
Protein ID: PT01005, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 180 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki > 1000 nM
Protein ID: PT01161, D(4) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000806 HEK298 Homo sapiens (Human)  1
1
Ki = 2.9 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 2.9 nM
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 200 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 200 nM
Clinical Information about the Compound
Drug 1 ( Fananserin )
Drug Name Fananserin
Company Sanofi-Aventis
Indication
Schizophrenia
Terminated
Target(s)
5-HT 2A receptor (HTR2A)
Antagonist