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Compound Detail

CHEMBL1545487

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CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(C(=O)N(CC)CC)cc3)c2)CC1

Basic Information

ChEMBL ID CHEMBL1545487
Phase Preclinical
Structure Type MOL
InChI Key ZILCYCGGNNYUQQ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

507.1
MW (Da)
3.40
ALogP
5
HBA
1
HBD
90.0
PSA (Ų)
0.59
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H31ClN4O4S
MW 507.06
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -2.34

Activity Summary

IC50 2 meas. best 5.88

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Polyadenylate-binding protein 1
CHEMBL1293286
IC50 5.88 5.35 1330.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine