Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL304902

CLOTHIAPINE
🧪 Phase II
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
🧪 Phase II
CN1CCN(C2=Nc3ccccc3Sc3ccc(Cl)cc32)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL304902
Name CLOTHIAPINE
Phase Phase II
Structure Type MOL
InChI Key KAAZGXDPUNNEFN-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Clothiapine Clotiapina Clotiapine Entumin HF-2159
5
Targets
9
Activities
1
Assay Types
0
PK Parameters
20
Publications
5
Known Names
1
Indications
3
Mechanisms

Molecular Properties

343.9
MW (Da)
4.13
ALogP
4
HBA
0
HBD
18.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -pine
USAN Year 1966

Extended Properties

Molecular Formula C18H18ClN3S
MW 343.88
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.17

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Serotonin 2 (5-HT2) receptor antagonist ANTAGONIST Serotonin 2 (5-HT2) receptor ✓ ✓
Dopamine D4 receptor antagonist ANTAGONIST D(4) dopamine receptor ✓ ✓
Serotonin 3 (5-HT3) receptor antagonist ANTAGONIST Serotonin 3 (5-HT3) receptor ✓ ✓

Indications

Psychotic Disorders

ATC Classification

N05AH06
clotiapine
Level 1: NERVOUS SYSTEM
Level 2: PSYCHOLEPTICS

Activity Summary

Ki 9 meas. best 9.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(2) dopamine receptor
CHEMBL217
 Ki 9.31 9.31 0.5 1
Serotonin 2 (5-HT2) receptor
CHEMBL2093870
 Ki 9.23 9.225 0.6 2
D(2) dopamine receptor
CHEMBL339
 Ki 8.36 8.355 4.4 2
D(1A) dopamine receptor
CHEMBL265
 Ki 7.85 7.85 14.0 2
Muscarinic acetylcholine receptor
CHEMBL1907609
 Ki 6.87 6.87 134.9 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
D(2) dopamine receptor Ki = 0.49 nM 9.31 Binding Assay: The ability of test compounds to displace 3H-raclopride at the D2... -
Serotonin 2 (5-HT2) receptor Ki = 0.5888 nM 9.23 Binding affinity against serotonin 5-hydroxytryptamine 2 receptor 7907148
Serotonin 2 (5-HT2) receptor Ki = 0.6 nM 9.22 In vitro binding affinity against rat 5-hydroxytryptamine 2 receptor. 8101877
D(2) dopamine receptor Ki = 4.4 nM 8.36 In vitro binding affinity against Dopamine D2 receptor in rat striatal tissue. 8101877
D(2) dopamine receptor Ki = 4.467 nM 8.35 Binding affinity against dopamine D2 receptor 7907148
D(1A) dopamine receptor Ki = 14.0 nM 7.85 In vitro binding affinity against Dopamine receptor D1 in rat striatal tissue 8101877
D(1A) dopamine receptor Ki = 14.13 nM 7.85 Binding affinity against dopamine receptor D1 7907148
Muscarinic acetylcholine receptor Ki = 136.0 nM 6.87 In vitro binding affinity against Muscarinic acetylcholine receptors in rat brai... 8101877
Muscarinic acetylcholine receptor Ki = 134.9 nM 6.87 Binding affinity against muscarinic (M) receptor 7907148

Literature References

PubMed DOI Target Context # Activities
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 4
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M2 3
37468498 10.1038/s41467-023-40064-9 Histamine H1 receptor 3
37468498 10.1038/s41467-023-40064-9 Alpha-2A adrenergic receptor 3
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M1 3
37468498 10.1038/s41467-023-40064-9 Gamma-aminobutyric acid receptor subunit alpha-1 3
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2B 3
20031418 10.1016/j.bmc.2009.11.060 Unchecked 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
37468498 10.1038/s41467-023-40064-9 Mu-type opioid receptor 2
7907148 10.1021/jm00030a011 Rattus norvegicus 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
37468498 10.1038/s41467-023-40064-9 cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A 2
37468498 10.1038/s41467-023-40064-9 D(3) dopamine receptor 2
8101877 10.1021/jm00067a009 Rattus norvegicus 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 1A 2
37468498 10.1038/s41467-023-40064-9 Thromboxane A2 receptor 2
37468498 10.1038/s41467-023-40064-9 Prostaglandin G/H synthase 1 2
37468498 10.1038/s41467-023-40064-9 D(1A) dopamine receptor 2

Data from ChEMBL 36 via Core Engine