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Compound Detail

CHEMBL1584202

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O=C(Oc1ccc2c(=O)c(Oc3ccc4ccccc4c3)coc2c1)c1cncc(Br)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1584202
Phase Preclinical
Structure Type MOL
InChI Key BFZHTVPRXCNENQ-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

488.3
MW (Da)
6.12
ALogP
6
HBA
0
HBD
78.6
PSA (Ų)
0.22
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H14BrNO5
MW 488.29
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -0.49

Activity Summary

EC50 1 meas. best 4.13
IC50 1 meas.

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Alkaline phosphatase, germ cell type
CHEMBL3402
 EC50 4.13 4.13 74000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Alkaline phosphatase, germ cell type EC50 = 74000.0 nM 4.13 PUBCHEM_BIOASSAY: Luminescent assay for HTS discovery of chemical activators of ... -

Data from ChEMBL 36 via Core Engine