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Compound Detail

CHEMBL4063984

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COc1ccc(CN(CC(=O)NCc2ccccc2)C(=O)CCCCCn2ccnc2/C=N/O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4063984
Phase Preclinical
Structure Type MOL
InChI Key WHYFNTZDUKGJCH-NDZAJKAJSA-N
0
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

491.6
MW (Da)
3.61
ALogP
7
HBA
2
HBD
109.0
PSA (Ų)
0.15
QED
0
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H33N5O4
MW 491.59
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.33

Activity Summary

Kd 3 meas.
IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
29091431 10.1021/acs.jmedchem.7b01083 Rattus norvegicus 12
29091431 10.1021/acs.jmedchem.7b01083 Acetylcholinesterase 11

Data from ChEMBL 36 via Core Engine