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Compound Detail

CHEMBL1829567

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COC1Cc2c(cnn2-c2ccccc2)C2(CCNCC2)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1829567
Phase Preclinical
Structure Type MOL
InChI Key BJKZKUCZAUDBKE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

299.4
MW (Da)
2.00
ALogP
5
HBA
1
HBD
48.3
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H21N3O2
MW 299.37
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.10

Literature References

PubMed DOI Target Context # Activities
21859078 10.1021/jm200585k Unchecked 2
21859078 10.1021/jm200585k Sigma non-opioid intracellular receptor 1 1

Data from ChEMBL 36 via Core Engine