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Compound Detail

CHEMBL3262484

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CN1c2ccc(OC(=O)NCc3ccccc3)cc2C(=O)N2CCc3c([nH]c4ccccc34)C21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3262484
Phase Preclinical
Structure Type MOL
InChI Key XBXZZFHJOIRRPN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

452.5
MW (Da)
4.60
ALogP
4
HBA
2
HBD
77.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H24N4O3
MW 452.51
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.17

Literature References

PubMed DOI Target Context # Activities
24819955 10.1016/j.ejmech.2014.05.002 Acetylcholinesterase 2
24819955 10.1016/j.ejmech.2014.05.002 Cholinesterase 2

Data from ChEMBL 36 via Core Engine