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Compound Detail

CHEMBL1761996

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[Cl-].[Cl-].c1ccc2c(c1)ccc[n+]2COC[n+]1cccc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1761996
Phase Preclinical
Structure Type MOL
InChI Key XOUOJLRAAFPTTE-UHFFFAOYSA-L
Parent Compound CHEMBL1789172
Active Moiety CHEMBL1789172
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

302.4
MW (Da)
3.20
ALogP
1
HBA
0
HBD
17.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18Cl2N2O
MW 373.28
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -0.04

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
21397501 10.1016/j.bmcl.2011.02.047 Acetylcholinesterase 1
21397501 10.1016/j.bmcl.2011.02.047 Cholinesterase 1
21397501 10.1016/j.bmcl.2011.02.047 Cholinesterases; ACHE & BCHE 1

Data from ChEMBL 36 via Core Engine