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Compound Detail

CHEMBL1485126

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COc1ccc2nc(Nc3nc(-c4cc5ccccc5oc4=O)cs3)sc2c1

Basic Information

ChEMBL ID CHEMBL1485126
Phase Preclinical
Structure Type MOL
InChI Key RXPVCTSZKJIGNR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

407.5
MW (Da)
5.28
ALogP
8
HBA
1
HBD
77.2
PSA (Ų)
0.41
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 C20H13N3O3S2
MW 407.48
Aromatic Rings 5
Heavy Atoms 28
NP-Likeness -1.69

Activity Summary

IC50 1 meas. best 5.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Induced myeloid leukemia cell differentiation protein Mcl-1
CHEMBL4361
IC50 5.96 5.96 1093.2 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine