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Compound Detail

CHEMBL538603

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Cc1cccc(C)c1NC(=O)Oc1ccc2c(c1)[C@]1(C)CC[N+](C)([O-])[C@@H]1N2C.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL538603
Phase Preclinical
Structure Type MOL
InChI Key VXGUMUCYPRASGK-QFPJJMDASA-N
Parent Compound CHEMBL1189395
Active Moiety CHEMBL1189395
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

381.5
MW (Da)
4.30
ALogP
4
HBA
1
HBD
64.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H28ClN3O3
MW 417.94
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 0.12

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
16913695 10.1021/jm060293s Acetylcholinesterase 2

Data from ChEMBL 36 via Core Engine