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Compound Detail

CHEMBL1550296

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COc1ccc(-c2nnc3sc(-c4c(OC)cccc4OC)nn23)cc1

Basic Information

ChEMBL ID CHEMBL1550296
Phase Preclinical
Structure Type MOL
InChI Key AOZPTRMIXJKKHF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

368.4
MW (Da)
3.55
ALogP
8
HBA
0
HBD
70.8
PSA (Ų)
0.54
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 C18H16N4O3S
MW 368.42
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.48

Activity Summary

IC50 1 meas. best 4.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Bcl-2-related protein A1
CHEMBL1293239
IC50 4.74 4.74 18100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Bcl-2-related protein A1 IC50 = 18100.0 nM 4.74 PUBCHEM_BIOASSAY: HTS discovery of chemical inhibitors of anti-apoptotic protein... -

Data from ChEMBL 36 via Core Engine