Compound Detail

CHEMBL83894

FANANSERIN

🧪 Phase II

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🧪 Phase II

O=S1(=O)c2cccc3cccc(c23)N1CCCN1CCN(c2ccc(F)cc2)CC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL83894
Name	FANANSERIN
Phase	Phase II
Structure Type	MOL
InChI Key	VGIGHGMPMUCLIQ-UHFFFAOYSA-N

Known Names

Fananserin Fananserina Fananserine RP 62203 RP-62203 RP62203

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

425.5

MW (Da)

3.70

ALogP

HBA

HBD

43.9

PSA (Å²)

0.63

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

USAN Stem	-anserin
USAN Year	1996

Extended Properties

Molecular Formula	C23H24FN3O2S
MW	425.53
Aromatic Rings	3
Heavy Atoms	30
NP-Likeness	-1.73

Activity Summary

Ki 41 meas. best 10.4

IC50 2 meas. best 9.3

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
5-hydroxytryptamine receptor 2A CHEMBL224	Ki	10.4	9.6375	0.0	4
5-hydroxytryptamine receptor 2A CHEMBL322	Ki	10.22	10.22	0.1	2
Serotonin 2 (5-HT2) receptor CHEMBL2093870	Ki	9.59	9.59	0.3	3
Serotonin 2 (5-HT2) receptor CHEMBL2093870	IC50	9.3	9.3	0.5	1
5-hydroxytryptamine receptor 2C CHEMBL225	Ki	9.0	8.15	1.0	2
D(4) dopamine receptor CHEMBL219	Ki	8.54	8.0333	2.9	3
Adrenergic receptor alpha-1 CHEMBL1907610	Ki	7.89	7.5767	13.0	3
Histamine H1 receptor CHEMBL3943	Ki	7.6	7.6	25.0	1
Histamine H1 receptor CHEMBL231	Ki	7.51	7.51	30.6	1
Alpha-1A adrenergic receptor CHEMBL319	Ki	7.42	7.42	38.0	1
Unchecked CHEMBL612545	Ki	7.16	7.16	70.0	1
5-hydroxytryptamine receptor 1A CHEMBL273	Ki	7.16	7.16	70.0	2
Adrenergic receptor alpha-1 CHEMBL1907610	IC50	6.99	6.99	103.0	1
D(2) dopamine receptor CHEMBL217	Ki	6.75	6.75	180.0	1
Alpha-1A adrenergic receptor CHEMBL229	Ki	6.71	6.71	194.9	1
Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240	Ki	6.7	6.7	200.0	2
5-hydroxytryptamine receptor 1A CHEMBL214	Ki	6.29	6.29	517.9	1
Alpha-2B adrenergic receptor CHEMBL1942	Ki	6.18	6.18	667.0	1
Sigma non-opioid intracellular receptor 1 CHEMBL287	Ki	6.16	6.16	696.2	1
5-hydroxytryptamine receptor 7 CHEMBL3155	Ki	6.13	6.13	744.3	1
Alpha-1B adrenergic receptor CHEMBL232	Ki	6.07	6.07	847.4	1
D(3) dopamine receptor CHEMBL234	Ki	5.99	5.99	1022.9	1
Alpha-2C adrenergic receptor CHEMBL1916	Ki	5.99	5.99	1026.1	1
Sodium-dependent serotonin transporter CHEMBL228	Ki	5.96	5.96	1101.9	1
Sigma intracellular receptor 2 CHEMBL4105907	Ki	5.88	5.88	1316.7	1
Alpha-2A adrenergic receptor CHEMBL1867	Ki	5.7	5.7	2018.4	1
Sodium-dependent dopamine transporter CHEMBL238	Ki	5.57	5.57	2689.7	1
Kappa-type opioid receptor CHEMBL237	Ki	5.54	5.54	2874.1	1
5-hydroxytryptamine receptor 6 CHEMBL3371	Ki	5.29	5.29	5105.1	1
5-hydroxytryptamine receptor 5A CHEMBL3426	Ki	5.17	5.17	6725.9	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
5-hydroxytryptamine receptor 2A	Ki	=	0.04	nM	10.4	Binding affinity for displacement of [3H]ketanserin to human 5-hydroxytryptamine...	11784153
5-hydroxytryptamine receptor 2A	Ki	=	0.04	nM	10.4	Binding affinity for human 5-hydroxytryptamine 2A receptor	11170639
5-hydroxytryptamine receptor 2A	Ki	=	0.06	nM	10.22	Binding affinity for displacement of [3H]ketanserin to rat 5-hydroxytryptamine 2...	11784153
5-hydroxytryptamine receptor 2A	Ki	=	0.06	nM	10.22	Displacement of [3H]ketanserin from 5HT2A receptor in rat cortical membranes inc...	31253535
Serotonin 2 (5-HT2) receptor	Ki	=	0.26	nM	9.59	Binding affinity towards r5HT2 receptor.	11170639
Serotonin 2 (5-HT2) receptor	Ki	=	0.26	nM	9.59	Binding constant against 5-hydroxytryptamine 2 receptor (in vivo)	1908521
Serotonin 2 (5-HT2) receptor	Ki	=	0.26	nM	9.59	Binding affinity to rat cerebral cortex homogenate 5-HT2 receptor assessed as in...	35939391
5-hydroxytryptamine receptor 2A	Ki	=	0.37	nM	9.43	Displacement of [3H]ketanserin from cloned human 5HT2A receptor in HEK298 cells	16168646
Serotonin 2 (5-HT2) receptor	IC50	=	0.5	nM	9.3	The concentration required to inhibit [3H]ketanserin binding to 5-hydroxytryptam...	1908521
5-hydroxytryptamine receptor 2C	Ki	=	1.0	nM	9.0	Binding affinity for displacement of [3H]mesulergine to human 5-hydroxytryptamin...	11784153
D(4) dopamine receptor	Ki	=	2.9	nM	8.54	Displacement of [3H]spiperone from cloned human dopamine D4.2 receptor in HEK298...	16168646
D(4) dopamine receptor	Ki	=	2.9	nM	8.54	Binding affinity towards human dopamine receptor D4	11170639
5-hydroxytryptamine receptor 2A	Ki	=	4.784	nM	8.32	PDSP Secondary Binding target: HTR2A - Compounds are tested at 10 uM concentrati...	-
Adrenergic receptor alpha-1	Ki	=	13.0	nM	7.89	Binding affinity for displacement of [3H]prazosin to rat Alpha-1 adrenergic rece...	11784153
Histamine H1 receptor	Ki	=	25.0	nM	7.6	Binding constant against histamine H1 receptor (in vivo)	1908521
Histamine H1 receptor	Ki	=	30.64	nM	7.51	PDSP Secondary Binding target: HRH1 - Compounds are tested at 10 uM concentratio...	-
Adrenergic receptor alpha-1	Ki	=	38.0	nM	7.42	Binding affinity towards human alpha-1 adrenergic receptor	11170639
Alpha-1A adrenergic receptor	Ki	=	38.0	nM	7.42	Binding affinity to rat cerebral cortex homogenate alpha 1 adrenergic receptor a...	35939391
Adrenergic receptor alpha-1	Ki	=	38.0	nM	7.42	Binding constant against Alpha-1 adrenergic receptor (in vivo)	1908521
5-hydroxytryptamine receptor 2C	Ki	=	49.98	nM	7.3	PDSP Secondary Binding target: HTR2C - Compounds are tested at 10 uM concentrati...	-

Literature References

PubMed	DOI	Target Context	# Activities
-	10.6019/CHEMBL4689842	Fibroblast	9
-	10.6019/CHEMBL4689842	HEK-293T	9
1908521	10.1021/jm00112a025	Rattus norvegicus	6
-	10.6019/CHEMBL4689842	U2OS	6
-	10.6019/CHEMBL5209801	Sphingosine 1-phosphate receptor 1	5
-	10.6019/CHEMBL5209801	Glucose-dependent insulinotropic receptor	5
-	10.6019/CHEMBL5209801	Glucagon-like peptide 1 receptor	5
-	10.6019/CHEMBL5209801	Apelin receptor	5
-	10.6019/CHEMBL5209801	Alpha-2A adrenergic receptor	5
-	10.6019/CHEMBL5209801	C5a anaphylatoxin chemotactic receptor 1	5
-	10.6019/CHEMBL5209801	Free fatty acid receptor 4	5
-	10.6019/CHEMBL5209801	CX3C chemokine receptor 1	5
-	10.6019/CHEMBL5209801	Type-1 angiotensin II receptor	5
-	10.6019/CHEMBL5209801	Adhesion G-protein coupled receptor F1	5
-	10.6019/CHEMBL5209801	N-formyl peptide receptor 2	5
-	10.6019/CHEMBL5209801	Beta-2 adrenergic receptor	5
11170639	10.1021/jm0002432	Rattus norvegicus	2
1908521	10.1021/jm00112a025	Serotonin 2 (5-HT2) receptor	2
1908521	10.1021/jm00112a025	Adrenergic receptor alpha-1	2
1908521	10.1021/jm00112a025	D(2) dopamine receptor	2

Data from ChEMBL 36 via Core Engine