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Compound Detail

CHEMBL362433

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CC1=C[C@H]2Cc3nc(O)ccc3[C@@]3(C1)[C@@H]2CCCN3CCN(Cc1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL362433
Phase Preclinical
Structure Type MOL
InChI Key VQLMHRMGNLYMOU-ZRLKGHKBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

465.6
MW (Da)
5.92
ALogP
4
HBA
1
HBD
39.6
PSA (Ų)
0.46
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 C31H35N3O
MW 465.64
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness 0.13

Literature References

PubMed DOI Target Context # Activities
15664805 10.1016/j.bmcl.2004.11.060 Acetylcholinesterase 1

Data from ChEMBL 36 via Core Engine