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Compound Detail

CHEMBL1582121

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COc1ccc(N2C(=O)/C(=C/C=C/c3ccccc3[N+](=O)[O-])C(=O)NC2=S)cc1

Basic Information

ChEMBL ID CHEMBL1582121
Phase Preclinical
Structure Type MOL
InChI Key HIDMRGKPCRILQV-ANSBUGDOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

409.4
MW (Da)
2.99
ALogP
6
HBA
1
HBD
101.8
PSA (Ų)
0.27
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 C20H15N3O5S
MW 409.42
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.37

Activity Summary

IC50 1 meas. best 6.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Induced myeloid leukemia cell differentiation protein Mcl-1
CHEMBL4361
IC50 6.14 6.14 729.9 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine