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Compound Detail

CHEMBL3120228

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Oc1ccc2oc(Cc3ccccc3)cc2c1CN1CCC(c2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3120228
Phase Preclinical
Structure Type MOL
InChI Key ATPQXVGCWQDZIF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

397.5
MW (Da)
6.11
ALogP
3
HBA
1
HBD
36.6
PSA (Ų)
0.44
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H27NO2
MW 397.52
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.16

Literature References

PubMed DOI Target Context # Activities
24445311 10.1016/j.ejmech.2013.12.020 SQ20B 1

Data from ChEMBL 36 via Core Engine