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Compound Detail

CHEMBL1723862

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O=C(C=Cc1ccco1)c1ccc2ccccc2c1

Basic Information

ChEMBL ID CHEMBL1723862
Phase Preclinical
Structure Type MOL
InChI Key MKNALJOPBHUVBL-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

248.3
MW (Da)
4.33
ALogP
2
HBA
0
HBD
30.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H12O2
MW 248.28
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -0.57

Activity Summary

IC50 2 meas. best 5.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein skinhead-1
CHEMBL2146298
IC50 5.03 4.765 9380.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine