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Compound Detail

CHEMBL3414854

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O=C(NCCCCCCBr)c1cn(Cc2ccccc2)c2c(F)cccc2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3414854
Phase Preclinical
Structure Type MOL
InChI Key YYHXNXAWJMDOFX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

459.4
MW (Da)
4.87
ALogP
3
HBA
1
HBD
51.1
PSA (Ų)
0.37
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24BrFN2O2
MW 459.36
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.02

Literature References

PubMed DOI Target Context # Activities
25478907 10.1021/jm500860w Muscarinic acetylcholine receptor M1 7

Data from ChEMBL 36 via Core Engine