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Compound Detail

CHEMBL1607380

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COc1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)O)cc1OC

Basic Information

ChEMBL ID CHEMBL1607380
Phase Preclinical
Structure Type MOL
InChI Key WHJKJQHHFCBZKD-NTCAYCPXSA-N
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

375.4
MW (Da)
4.83
ALogP
4
HBA
1
HBD
68.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21NO4
MW 375.42
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.40

Activity Summary

EC50 2 meas. best 5.08
IC50 2 meas. best 4.95

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Zinc finger protein mex-5
CHEMBL1293319
EC50 5.08 5.08 8256.0 1
RNA-binding protein pos-1
CHEMBL1293304
EC50 5.03 5.03 9282.0 1
Beta-lactamase
CHEMBL1293260
IC50 4.95 4.95 11165.0 1
Beta Lactamase
CHEMBL1293246
IC50 4.25 4.25 56050.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine