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Compound Detail

CHEMBL1736090

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CC(OC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)Nc1ccc(C(N)=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1736090
Phase Preclinical
Structure Type MOL
InChI Key CXDZQKPLKOSNDK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

459.5
MW (Da)
2.14
ALogP
6
HBA
2
HBD
135.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25N3O6S
MW 459.52
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -1.65

Activity Summary

EC50 1 meas. best 5.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 5.06 5.06 8720.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 8720.0 nM 5.06 PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits that enhance the survi... -

Data from ChEMBL 36 via Core Engine