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Compound Detail

CHEMBL134641

SABCOMELINE
🧪 Phase II
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🧪 Phase II
CO/N=C(\C#N)[C@H]1CN2CCC1CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL134641
Name SABCOMELINE
Phase Phase II
Structure Type MOL
InChI Key IQWCBYSUUOFOMF-QTLFRQQHSA-N

Known Names

Sabcomelina Sabcomeline SB-202026 SKB-202026
6
Targets
14
Activities
3
Assay Types
0
PK Parameters
18
Publications
4
Known Names

Molecular Properties

193.2
MW (Da)
0.85
ALogP
4
HBA
0
HBD
48.6
PSA (Ų)
0.48
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer
USAN Stem -meline
USAN Year 1997

Extended Properties

Molecular Formula C10H15N3O
MW 193.25
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness 0.03

Activity Summary

EC50 6 meas. best 8.24
IC50 6 meas. best 7.85
Ki 2 meas. best 6.69

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor M4
CHEMBL1821
 EC50 8.24 7.455 5.7 2
Muscarinic acetylcholine receptor
CHEMBL1907609
 IC50 7.85 7.18 14.0 2
Muscarinic acetylcholine receptor M3
CHEMBL245
 IC50 7.22 7.22 60.0 1
Muscarinic acetylcholine receptor M2
CHEMBL211
 EC50 7.21 7.21 62.1 1
Muscarinic acetylcholine receptor M1
CHEMBL216
 EC50 7.2 7.2 63.6 1
Muscarinic acetylcholine receptor M4
CHEMBL1821
 IC50 7.05 7.05 90.0 1
Muscarinic acetylcholine receptor M3
CHEMBL245
 EC50 6.93 6.93 117.0 1
Muscarinic acetylcholine receptor M5
CHEMBL2035
 EC50 6.91 6.91 123.0 1
Muscarinic acetylcholine receptor M1
CHEMBL216
 IC50 6.77 6.77 170.0 1
Muscarinic acetylcholine receptor M2
CHEMBL211
 IC50 6.75 6.75 180.0 1
Muscarinic acetylcholine receptor M2
CHEMBL211
 Ki 6.69 6.69 204.2 1
Muscarinic acetylcholine receptor M1
CHEMBL216
 Ki 6.64 6.64 229.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Muscarinic acetylcholine receptor M4 EC50 = 5.7 nM 8.24 Partial agonist activity at human M4 receptor co-expressed with Galpha16 in CHO ... 24900656
Muscarinic acetylcholine receptor IC50 = 14.0 nM 7.85 In vitro affinity evaluated using [3H]- oxotremorine as radioligand in rat cereb... 9435896
Muscarinic acetylcholine receptor M3 IC50 = 60.0 nM 7.22 In vitro affinity is evaluated, using quinuclidynyl benzylate (QNB) as radioliga... 9435896
Muscarinic acetylcholine receptor M2 EC50 = 62.1 nM 7.21 Agonist activity at human muscarinic M2 receptor expressed in CHO cells after 30... 26299349
Muscarinic acetylcholine receptor M1 EC50 = 63.6 nM 7.2 Agonist activity at human muscarinic M1 receptor expressed in CHO cells after 30... 26299349
Muscarinic acetylcholine receptor M4 IC50 = 90.0 nM 7.05 In vitro affinity is evaluated, using quinuclidynyl benzylate (QNB) as radioliga... 9435896
Muscarinic acetylcholine receptor M3 EC50 = 117.0 nM 6.93 Agonist activity at human muscarinic M3 receptor expressed in CHO cells after 30... 26299349
Muscarinic acetylcholine receptor M5 EC50 = 123.0 nM 6.91 Agonist activity at human muscarinic M5 receptor expressed in CHO cells after 30... 26299349
Muscarinic acetylcholine receptor M1 IC50 = 170.0 nM 6.77 In vitro affinity against human Muscarinic acetylcholine receptor M1 using quinu... 9435896
Muscarinic acetylcholine receptor M2 IC50 = 180.0 nM 6.75 In vitro affinity is evaluated, using quinuclidynyl benzylate (QNB) as radioliga... 9435896
Muscarinic acetylcholine receptor M2 Ki = 204.17 nM 6.69 Binding affinity to human cloned muscarinic M2 receptor expressed in CHO cells 18182302
Muscarinic acetylcholine receptor M4 EC50 = 214.0 nM 6.67 Agonist activity at human muscarinic M4 receptor expressed in CHO cells after 30... 26299349
Muscarinic acetylcholine receptor M1 Ki = 229.09 nM 6.64 Binding affinity to human cloned muscarinic M1 receptor expressed in CHO cells 18182302
Muscarinic acetylcholine receptor IC50 = 310.0 nM 6.51 In vitro affinity evaluated using [3H]- quinuclidinyl benzilate as radioligand i... 9435896

Literature References

PubMed DOI Target Context # Activities
9435896 10.1021/jm9702903 Rattus norvegicus 6
9435896 10.1021/jm9702903 Mus musculus 2
26299349 10.1016/j.bmcl.2015.08.011 Muscarinic acetylcholine receptor M5 2
26299349 10.1016/j.bmcl.2015.08.011 Muscarinic acetylcholine receptor M4 2
26299349 10.1016/j.bmcl.2015.08.011 Muscarinic acetylcholine receptor M3 2
26299349 10.1016/j.bmcl.2015.08.011 Muscarinic acetylcholine receptor M2 2
26299349 10.1016/j.bmcl.2015.08.011 Muscarinic acetylcholine receptor M1 2
24900656 10.1021/ml300372f Muscarinic acetylcholine receptor M4 2
9435896 10.1021/jm9702903 NON-PROTEIN TARGET 2
9435896 10.1021/jm9702903 Muscarinic acetylcholine receptor M1 2
9435896 10.1021/jm9702903 Muscarinic acetylcholine receptor 2
18182302 10.1016/j.bmc.2007.12.036 Muscarinic acetylcholine receptor M1 1
18182302 10.1016/j.bmc.2007.12.036 Muscarinic acetylcholine receptor M2 1
24900656 10.1021/ml300372f ADMET 1
24900656 10.1021/ml300372f Rattus norvegicus 1
9435896 10.1021/jm9702903 Muscarinic acetylcholine receptor M4 1
9435896 10.1021/jm9702903 Muscarinic acetylcholine receptor M3 1
9435896 10.1021/jm9702903 Muscarinic acetylcholine receptor M2 1

Data from ChEMBL 36 via Core Engine