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Compound Detail

CHEMBL1526953

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O=C(Nc1nccs1)c1cn(-c2ccccc2)nc1-c1ccncc1

Basic Information

ChEMBL ID CHEMBL1526953
Phase Preclinical
Structure Type MOL
InChI Key VCDBJXLQOCVTQT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

347.4
MW (Da)
3.64
ALogP
6
HBA
1
HBD
72.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H13N5OS
MW 347.40
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -2.42

Activity Summary

IC50 1 meas. best 5.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.04 5.04 9125.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 9125.0 nM 5.04 PubChem BioAssay. Luminescence-based cell-based high throughput dose response as... -

Data from ChEMBL 36 via Core Engine