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Compound Detail

CHEMBL3786875

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

Basic Information

ChEMBL ID CHEMBL3786875
Phase Preclinical
Structure Type MOL
InChI Key LHHMEFBIAUYHBK-BOXHHOBZSA-N
Parent Compound CHEMBL3787787
Active Moiety CHEMBL3787787
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

490.5
MW (Da)
3.08
ALogP
8
HBA
1
HBD
123.3
PSA (Ų)
0.23
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 C26H27ClN4O6
MW 526.98
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.03

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