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Compound Detail

CHEMBL1995929

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CC(Oc1ccccc1)C(=O)Nc1nc(-c2ccncc2)cs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1995929
Phase Preclinical
Structure Type MOL
InChI Key NOTSSCYQOIIXLX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

325.4
MW (Da)
3.61
ALogP
5
HBA
1
HBD
64.1
PSA (Ų)
0.78
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 C17H15N3O2S
MW 325.39
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -2.12

Activity Summary

EC50 1 meas. best 4.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 4.42 4.42 37800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 37800.0 nM 4.42 PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits that enhance the survi... -

Data from ChEMBL 36 via Core Engine