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Compound Detail

CHEMBL58792

FLUANISONE
🧪 Phase II
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🧪 Phase II
COc1ccccc1N1CCN(CCCC(=O)c2ccc(F)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL58792
Name FLUANISONE
Phase Phase II
Structure Type MOL
InChI Key IRYFCWPNDIUQOW-UHFFFAOYSA-N

Known Names

Fluanisona Fluanisone MD 2028 MD-2028 NSC-170977 R 2028 R 2167 R-2028 R-2167
4
Targets
10
Activities
1
Assay Types
0
PK Parameters
20
Publications
9
Known Names
1
Indications

Molecular Properties

356.4
MW (Da)
3.62
ALogP
4
HBA
0
HBD
32.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Extended Properties

Molecular Formula C21H25FN2O2
MW 356.44
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.42

Indications

Psychotic Disorders

ATC Classification

N05AD09
fluanisone
Level 1: NERVOUS SYSTEM
Level 2: PSYCHOLEPTICS

Activity Summary

Ki 10 meas. best 9.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Adrenergic receptor alpha-1
CHEMBL1907610
 Ki 9.06 9.06 0.9 2
5-hydroxytryptamine receptor 1A
CHEMBL273
 Ki 9.0 9.0 1.0 2
D(2) dopamine receptor
CHEMBL339
 Ki 8.62 8.5675 2.4 4
Serotonin 2 (5-HT2) receptor
CHEMBL2093870
 Ki 7.28 7.28 52.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Adrenergic receptor alpha-1 Ki = 0.87 nM 9.06 Potency to displace [3H]- WB-4101 from alpha-1 adrenergic receptor in rat striat... 2902226
Adrenergic receptor alpha-1 Ki = 0.87 nM 9.06 Ability to inhibit [3H]WB-4101 binding to alpha-1 adrenergic receptor was determ... 2889830
5-hydroxytryptamine receptor 1A Ki = 1.0 nM 9.0 Binding affinity was evaluated by determining in vitro displacement of [3H]8-OH-... 9022796
5-hydroxytryptamine receptor 1A Ki = 1.0 nM 9.0 pKi value against rat 5-hydroxytryptamine 1A receptor. 9022796
D(2) dopamine receptor Ki = 2.4 nM 8.62 Displacement of [3H]-Spiperone from Dopamine receptor D2 in rat striatum 2902226
D(2) dopamine receptor Ki = 2.512 nM 8.6 pKi value against rat Dopamine receptor D2. 9022796
D(2) dopamine receptor Ki = 2.9 nM 8.54 Ability to inhibit the [3H]spiperone binding to striatum Dopamine receptor D2 wa... 2889830
D(2) dopamine receptor Ki = 3.1 nM 8.51 In vitro displacement of [3H]spiperone from Dopamine receptor D2 binding site in... 9022796
Serotonin 2 (5-HT2) receptor Ki = 52.0 nM 7.28 Potency to displace [3H]- Spiperone from 5-hydroxytryptamine 2 receptor in rat s... 2902226
Serotonin 2 (5-HT2) receptor Ki = 52.0 nM 7.28 Ability to inhibit [3H]spiperone binding to 5-hydroxytryptamine 2 receptor deter... 2889830

Literature References

PubMed DOI Target Context # Activities
2571727 10.1021/jm00130a003 Mus musculus 31
2571727 10.1021/jm00130a003 Rattus norvegicus 14
6167716 10.1021/jm00135a006 ADMET 8
2889830 10.1021/jm00394a028 Rattus norvegicus 3
2902226 10.1021/jm00118a011 Rattus norvegicus 3
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
2571727 10.1021/jm00130a003 Canis familiaris 2
2889830 10.1021/jm00394a028 Mus musculus 2
2889830 10.1021/jm00394a028 D(2) dopamine receptor 2
9022796 10.1021/jm960496o D(2) dopamine receptor 2
9022796 10.1021/jm960496o 5-hydroxytryptamine receptor 1A 2
9022796 10.1021/jm960496o No relevant target 1
6167716 10.1021/jm00135a006 No relevant target 1
2889830 10.1021/jm00394a028 Adrenergic receptor alpha-1 1
2889830 10.1021/jm00394a028 Serotonin 2 (5-HT2) receptor 1
2902226 10.1021/jm00118a011 Mus musculus 1
2902226 10.1021/jm00118a011 Dopamine receptor 1
2902226 10.1021/jm00118a011 Serotonin 2 (5-HT2) receptor 1
2902226 10.1021/jm00118a011 Adrenergic receptor alpha-1 1
2902226 10.1021/jm00118a011 Unchecked 1

Data from ChEMBL 36 via Core Engine