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Compound Detail

CHEMBL3309613

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N#CCC1Cc2ccncc2C2(CCN(Cc3ccccc3)CC2)O1

Basic Information

ChEMBL ID CHEMBL3309613
Phase Preclinical
Structure Type MOL
InChI Key WIKRMTRVQIDFRZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

333.4
MW (Da)
3.43
ALogP
4
HBA
0
HBD
49.1
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23N3O
MW 333.44
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.23

Literature References

PubMed DOI Target Context # Activities
24913984 10.1016/j.bmc.2014.05.033 Sigma non-opioid intracellular receptor 1 1
24913984 10.1016/j.bmc.2014.05.033 Unchecked 1

Data from ChEMBL 36 via Core Engine