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Compound Detail

CHEMBL570961

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Cc1ccc(CCCCC2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL570961
Phase Preclinical
Structure Type MOL
InChI Key WMENQMDKVSUACK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

412.6
MW (Da)
7.45
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.38
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H36O
MW 412.62
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.07

Literature References

PubMed DOI Target Context # Activities
19660947 10.1016/j.bmcl.2009.07.047 Voltage-gated inwardly rectifying potassium channel KCNH2 1
19660947 10.1016/j.bmcl.2009.07.047 Histamine H1 receptor 1

Data from ChEMBL 36 via Core Engine