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Compound Detail

CHEMBL491818

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O=c1[nH]c2ccc(F)cc2n1C1CCN(C2CCN(Cc3ccccc3C(F)(F)F)CC2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL491818
Phase Preclinical
Structure Type MOL
InChI Key VGVQNTNYOVKGPI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

476.5
MW (Da)
4.79
ALogP
4
HBA
1
HBD
44.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28F4N4O
MW 476.52
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.50

Literature References

PubMed DOI Target Context # Activities
18805692 10.1016/j.bmcl.2008.09.023 Muscarinic acetylcholine receptor M1 2
18805692 10.1016/j.bmcl.2008.09.023 D(2) dopamine receptor 1
18805692 10.1016/j.bmcl.2008.09.023 Muscarinic acetylcholine receptor M2 1
18805692 10.1016/j.bmcl.2008.09.023 Muscarinic acetylcholine receptor M3 1
18805692 10.1016/j.bmcl.2008.09.023 Muscarinic acetylcholine receptor M4 1
18805692 10.1016/j.bmcl.2008.09.023 Muscarinic acetylcholine receptor M5 1

Data from ChEMBL 36 via Core Engine