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Compound Detail

CHEMBL168815

CEVIMELINE
💊 Approved Drug
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💊 Approved Drug
CC1OC2(CS1)CN1CCC2CC1

Basic Information

ChEMBL ID CHEMBL168815
Name CEVIMELINE
Phase Approved
Structure Type MOL
InChI Key WUTYZMFRCNBCHQ-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Cevimelina Cevimeline
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
20
Publications
2
Known Names
1
Indications

Molecular Properties

199.3
MW (Da)
1.56
ALogP
3
HBA
0
HBD
12.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2000
Availability Prescription
Chirality Racemic

Routes of Administration

Oral

Flags

Natural Product
USAN Stem -meline
USAN Year 1997

Extended Properties

Molecular Formula C10H17NOS
MW 199.32
Aromatic Rings 0
Heavy Atoms 13
NP-Likeness 1.15

Indications

Xerostomia

ATC Classification

N07AX03
cevimeline
Level 1: NERVOUS SYSTEM
Level 2: OTHER NERVOUS SYSTEM DRUGS

Activity Summary

Ki 4 meas. best 6.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor M2
CHEMBL211
Ki 6.07 6.07 851.1 1
Muscarinic acetylcholine receptor M4
CHEMBL1821
Ki 5.99 5.99 1023.3 1
Muscarinic acetylcholine receptor M3
CHEMBL245
Ki 5.59 5.59 2570.4 1
Muscarinic acetylcholine receptor M1
CHEMBL216
Ki 5.31 5.31 4897.8 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 3
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M1 3
37468498 10.1038/s41467-023-40064-9 Mu-type opioid receptor 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 1A 2
26948801 10.1016/j.drudis.2016.02.015 Homo sapiens 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2B 2
37468498 10.1038/s41467-023-40064-9 Alpha-2A adrenergic receptor 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 Gamma-aminobutyric acid receptor subunit alpha-1 2
37468498 10.1038/s41467-023-40064-9 Beta-2 adrenergic receptor 1
37468498 10.1038/s41467-023-40064-9 Adenosine receptor A1 1
37468498 10.1038/s41467-023-40064-9 Kappa-type opioid receptor 1
37468498 10.1038/s41467-023-40064-9 Neuronal acetylcholine receptor subunit alpha-4 1
37468498 10.1038/s41467-023-40064-9 Sodium-dependent dopamine transporter 1
37468498 10.1038/s41467-023-40064-9 Glutamate receptor ionotropic, NMDA 1 1
37468498 10.1038/s41467-023-40064-9 Voltage-dependent L-type calcium channel subunit alpha-1C 1
24980056 10.1016/j.bmcl.2014.06.020 Muscarinic acetylcholine receptor M2 1
24980056 10.1016/j.bmcl.2014.06.020 Muscarinic acetylcholine receptor M4 1
24980056 10.1016/j.bmcl.2014.06.020 Muscarinic acetylcholine receptor M3 1

Data from ChEMBL 36 via Core Engine