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Compound Detail

CHEMBL1476311

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C=CCc1ccc(OCCn2nnc3ccccc32)c(OC)c1

Basic Information

ChEMBL ID CHEMBL1476311
Phase Preclinical
Structure Type MOL
InChI Key WYKSQHYQEJPBGV-UHFFFAOYSA-N
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

309.4
MW (Da)
3.25
ALogP
5
HBA
0
HBD
49.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19N3O2
MW 309.37
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.20

Activity Summary

EC50 5 meas. best 6.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 6.11 5.685 772.0 4
H4
CHEMBL1075452
EC50 5.08 5.08 8334.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine