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Compound Detail

CHEMBL3618438

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O=C(N[C@@H]1c2cc(/N=C(/Nc3ccc(F)cc3)C(F)(F)F)ccc2C[C@H]1O)c1ccc(Br)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3618438
Phase Preclinical
Structure Type MOL
InChI Key PAXUROWAARPBFL-NHCUHLMSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

536.3
MW (Da)
5.68
ALogP
3
HBA
3
HBD
73.7
PSA (Ų)
0.23
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H18BrF4N3O2
MW 536.32
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.82

Literature References

PubMed DOI Target Context # Activities
26299349 10.1016/j.bmcl.2015.08.011 Muscarinic acetylcholine receptor M3 1
26299349 10.1016/j.bmcl.2015.08.011 Muscarinic acetylcholine receptor M5 1
26299349 10.1016/j.bmcl.2015.08.011 Muscarinic acetylcholine receptor M1 1
26299349 10.1016/j.bmcl.2015.08.011 Muscarinic acetylcholine receptor M2 1
26299349 10.1016/j.bmcl.2015.08.011 Muscarinic acetylcholine receptor M4 1

Data from ChEMBL 36 via Core Engine