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Compound Detail

CHEMBL1572262

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O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21)N1CCCC1

Basic Information

ChEMBL ID CHEMBL1572262
Phase Preclinical
Structure Type MOL
InChI Key HFAHKHKXCYGZLJ-UHFFFAOYSA-N
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

355.4
MW (Da)
1.84
ALogP
6
HBA
0
HBD
64.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17N3O3S
MW 355.42
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -2.15

Activity Summary

IC50 2 meas. best 4.94
EC50 1 meas. best 5.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Alkaline phosphatase, germ cell type
CHEMBL3402
EC50 5.58 5.58 2650.0 1
Induced myeloid leukemia cell differentiation protein Mcl-1
CHEMBL4361
IC50 4.94 4.94 11550.2 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine