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Compound Detail

CHEMBL571819

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Cc1ccc(CCCC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL571819
Phase Preclinical
Structure Type MOL
InChI Key ARFONFXLNJVMPP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

427.6
MW (Da)
5.49
ALogP
2
HBA
1
HBD
40.5
PSA (Ų)
0.54
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H33NO2
MW 427.59
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.60

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