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Compound Detail

CHEMBL3975024

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O=C(CCCOc1c2ccoc2cc2oc(=O)ccc12)c1ccccc1

Basic Information

ChEMBL ID CHEMBL3975024
Phase Preclinical
Structure Type MOL
InChI Key NZPNFAMQGOTWDQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

348.4
MW (Da)
4.58
ALogP
5
HBA
0
HBD
69.7
PSA (Ų)
0.29
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16O5
MW 348.35
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness 0.41

Activity Summary

EC50 1 meas. best 7.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium voltage-gated channel subfamily A member 3
CHEMBL4633
EC50 7.51 7.51 31.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Potassium voltage-gated channel subfamily A member 3 EC50 = 31.0 nM 7.51 Inhibition of Kv1.3 (unknown origin) -

Data from ChEMBL 36 via Core Engine