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Compound Detail

CHEMBL1992308

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COS(=O)(=O)[O-].Cc1c(P(=S)(c2ccccc2)c2ccccc2)[n+]2ccccc2n1C

Basic Information

ChEMBL ID CHEMBL1992308
Phase Preclinical
Structure Type MOL
InChI Key BTTUVRKQKPMSRP-UHFFFAOYSA-M
Parent Compound CHEMBL1314147
Active Moiety CHEMBL1314147
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

363.4
MW (Da)
2.83
ALogP
2
HBA
0
HBD
9.0
PSA (Ų)
0.40
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 C22H23N2O4PS2
MW 474.54
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -0.25

Activity Summary

IC50 2 meas. best 5.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
26S proteasome non-ATPase regulatory subunit 14
CHEMBL2007629
IC50 5.27 5.27 5420.0 1
Prothrombin
CHEMBL4471
IC50 4.2 4.2 62800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine