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Compound Detail

CHEMBL123248

ESERIDINE
🧪 Phase II
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🧪 Phase II
CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)O[C@@H]1N2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL123248
Name ESERIDINE
Phase Phase II
Structure Type MOL
InChI Key CNBHDDBNEKKMJH-ZFWWWQNUSA-N

Known Names

Eseridina Eseridine Geneserine NSC-340071
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
4
Known Names

Molecular Properties

291.4
MW (Da)
1.71
ALogP
5
HBA
1
HBD
54.0
PSA (Ų)
0.85
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Flags

Natural Product
USAN Stem -eridine

Extended Properties

Molecular Formula C15H21N3O3
MW 291.35
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 1.17

Activity Summary

IC50 2 meas. best 7.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cholinesterase
CHEMBL1914
 IC50 7.92 7.92 12.0 1
Acetylcholinesterase
CHEMBL220
 IC50 6.82 6.82 150.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cholinesterase IC50 = 12.0 nM 7.92 Ex vivo inhibition of human plasma Butyrylcholinesterase. 12166941
Acetylcholinesterase IC50 = 150.0 nM 6.82 Ex vivo inhibition of human erythrocyte Acetylcholinesterase. 12166941

Literature References

PubMed DOI Target Context # Activities
12166941 10.1021/jm010491d Acetylcholinesterase 1
12166941 10.1021/jm010491d Cholinesterase 1
12166941 10.1021/jm010491d Cholinesterases; ACHE & BCHE 1

Data from ChEMBL 36 via Core Engine