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Compound Detail

CHEMBL1569092

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O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(-c2nc3ccccc3s2)cc1

Basic Information

ChEMBL ID CHEMBL1569092
Phase Preclinical
Structure Type MOL
InChI Key ZBDUBPPJQMBWPQ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

434.5
MW (Da)
4.16
ALogP
5
HBA
2
HBD
91.4
PSA (Ų)
0.59
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 C23H22N4O3S
MW 434.52
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -2.08

Activity Summary

IC50 2 meas. best 4.71

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
26S proteasome non-ATPase regulatory subunit 14
CHEMBL2007629
IC50 4.71 4.71 19300.0 1
Prothrombin
CHEMBL4471
IC50 4.71 4.71 19500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine