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Compound Detail

CHEMBL3414851

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

Basic Information

ChEMBL ID CHEMBL3414851
Phase Preclinical
Structure Type MOL
InChI Key KWMWOGVZDMJCGG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

431.3
MW (Da)
4.09
ALogP
3
HBA
1
HBD
51.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20BrFN2O2
MW 431.31
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.14

Literature References

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

Data from ChEMBL 36 via Core Engine