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Compound Detail

CHEMBL3786604

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CCOC(=O)c1cc(C(=O)c2ccccc2O)n2ccc(C(=O)N[C@H]3CN4CCC3CC4)cc12.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3786604
Phase Preclinical
Structure Type MOL
InChI Key QYBRVPGYHGDLOL-BDQAORGHSA-N
Parent Compound CHEMBL3787788
Active Moiety CHEMBL3787788
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

461.5
MW (Da)
2.88
ALogP
7
HBA
2
HBD
100.3
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H28ClN3O5
MW 497.98
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.56

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