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Compound Detail

CHEMBL3785383

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CCOC(=O)c1cc(C(=O)c2cccc(C(F)(F)F)c2)n2ccc(C(=O)N[C@H]3CN4CCC3CC4)cc12.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3785383
Phase Preclinical
Structure Type MOL
InChI Key DPRHWDZGOBIMMZ-BOXHHOBZSA-N
Parent Compound CHEMBL3787786
Active Moiety CHEMBL3787786
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

513.5
MW (Da)
4.19
ALogP
6
HBA
1
HBD
80.1
PSA (Ų)
0.40
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H27ClF3N3O4
MW 549.98
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -0.96

Literature References

PubMed DOI Target Context # Activities
26994846 10.1016/j.ejmech.2016.03.016 Neuronal acetylcholine receptor subunit alpha-7 2

Data from ChEMBL 36 via Core Engine