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Compound Detail

CHEMBL1503307

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COc1cccc(OC)c1-c1nn2c(-c3cc(-c4ccccc4)[nH]n3)nnc2s1

Basic Information

ChEMBL ID CHEMBL1503307
Phase Preclinical
Structure Type MOL
InChI Key FADKMVWORSHBKJ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

404.5
MW (Da)
3.93
ALogP
8
HBA
1
HBD
90.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16N6O2S
MW 404.46
Aromatic Rings 5
Heavy Atoms 29
NP-Likeness -1.73

Activity Summary

IC50 2 meas. best 5.71

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.71 5.71 1960.0 1
Bcl-2-related protein A1
CHEMBL1293239
IC50 4.85 4.85 14100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine