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Compound Detail

CHEMBL3187365

ASENAPINE
💊 Approved Drug
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💊 Approved Drug
CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3187365
Name ASENAPINE
Phase Approved
Structure Type MOL
InChI Key VSWBSWWIRNCQIJ-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Asenapina Asenapine Secuado Sycrest
10
Targets
12
Activities
1
Assay Types
0
PK Parameters
20
Publications
4
Known Names
3
Indications
1
Mechanisms

Molecular Properties

285.8
MW (Da)
4.26
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2009
Availability Prescription
Chirality Racemic

Routes of Administration

Topical

Flags

Black Box Warning
USAN Stem -pine
USAN Year 2002

Extended Properties

Molecular Formula C17H16ClNO
MW 285.77
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.23

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Unknown - - ✓ ✓

Indications

Bipolar Disorder Psychotic Disorders Schizophrenia

ATC Classification

N05AH05
asenapine
Level 1: NERVOUS SYSTEM
Level 2: PSYCHOLEPTICS

Drug Warnings

Black Box Warning
General Warning
Country: United States

Activity Summary

Ki 12 meas. best 9.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 2B
CHEMBL1833
 Ki 9.68 9.68 0.2 1
5-hydroxytryptamine receptor 6
CHEMBL3371
 Ki 9.6 9.6 0.2 1
5-hydroxytryptamine receptor 2A
CHEMBL224
 Ki 9.04 9.04 0.9 2
Histamine H1 receptor
CHEMBL231
 Ki 9.0 9.0 1.0 1
Adrenergic receptor alpha-1
CHEMBL2094251
 Ki 8.92 8.92 1.2 1
5-hydroxytryptamine receptor 2C
CHEMBL225
 Ki 8.61 8.605 2.5 2
D(1A) dopamine receptor
CHEMBL2056
 Ki 8.05 8.05 8.9 1
D(2) dopamine receptor
CHEMBL217
 Ki 8.05 8.05 8.9 1
D(4) dopamine receptor
CHEMBL219
 Ki 8.05 8.05 9.0 1
D(3) dopamine receptor
CHEMBL234
 Ki 8.03 8.03 9.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
5-hydroxytryptamine receptor 2B Ki = 0.21 nM 9.68 Displacement of [3H]-LSD from human 5-HT2B receptor assessed as inhibition const... 37584406
5-hydroxytryptamine receptor 6 Ki = 0.25 nM 9.6 Antagonist activity at human recombinant 5HT6 receptor expressed in CHO cells 24850589
5-hydroxytryptamine receptor 2A Ki = 0.912 nM 9.04 Antagonist activity at human 5HT2A receptor expressed in HEK293 cells assessed a... 23301527
5-hydroxytryptamine receptor 2A Ki = 0.91 nM 9.04 Antagonist activity at human 5HT2A receptor expressed in HEK293 cells assessed a... 23301527
Histamine H1 receptor Ki = 1.0 nM 9.0 Binding affinity to H1 histamine receptor (unknown origin) 33189775
Adrenergic receptor alpha-1 Ki = 1.2 nM 8.92 Binding affinity to adrenergic alpha1 receptor (unknown origin) 33189775
5-hydroxytryptamine receptor 2C Ki = 2.455 nM 8.61 Antagonist activity at human 5HT2C receptor expressed in HEK293 cells assessed a... 23301527
5-hydroxytryptamine receptor 2C Ki = 2.5 nM 8.6 Antagonist activity at human 5HT2C receptor expressed in HEK293 cells assessed a... 23301527
D(1A) dopamine receptor Ki = 8.9 nM 8.05 Displacement of [3H]SCH-23390 from human cloned D1 dopamine receptor expressed i... -
D(2) dopamine receptor Ki = 8.9 nM 8.05 Displacement of [3H]N-methylspiperone from human cloned D2 dopamine receptor exp... -
D(4) dopamine receptor Ki = 9.0 nM 8.05 Displacement of [3H]N-methylspiperone from human D4 dopamine receptor incubated ... -
D(3) dopamine receptor Ki = 9.4 nM 8.03 Displacement of [3H]N-methylspiperone from human cloned D3 dopamine receptor exp... -

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4651402 SARS-CoV-2 4
37468498 10.1038/s41467-023-40064-9 Alpha-2A adrenergic receptor 3
37468498 10.1038/s41467-023-40064-9 D(1A) dopamine receptor 3
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
37468498 10.1038/s41467-023-40064-9 Thromboxane A2 receptor 2
37468498 10.1038/s41467-023-40064-9 Estrogen receptor 2
37468498 10.1038/s41467-023-40064-9 Glucocorticoid receptor 2
37468498 10.1038/s41467-023-40064-9 Peroxisome proliferator-activated receptor gamma 2
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2B 2
- 10.6019/CHEMBL4651402 Vero C1008 2
37468498 10.1038/s41467-023-40064-9 Nuclear receptor subfamily 1 group I member 2 2
37468498 10.1038/s41467-023-40064-9 Cannabinoid receptor 1 2
37468498 10.1038/s41467-023-40064-9 Progesterone receptor 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2A 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M2 2
37468498 10.1038/s41467-023-40064-9 Gamma-aminobutyric acid receptor subunit alpha-1/alpha-2/beta-2/gamma-2 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 1A 2
23301527 10.1021/jm301656h 5-hydroxytryptamine receptor 2A 2
23301527 10.1021/jm301656h 5-hydroxytryptamine receptor 2C 2

Data from ChEMBL 36 via Core Engine