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Compound Detail

CHEMBL1709153

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CC(=NNC(=S)Nc1cccc(C)c1)c1ccccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1709153
Phase Preclinical
Structure Type MOL
InChI Key ANJKHGQGRYJRCY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

284.4
MW (Da)
3.10
ALogP
3
HBA
2
HBD
49.3
PSA (Ų)
0.52
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 C15H16N4S
MW 284.39
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -2.34

Activity Summary

EC50 1 meas. best 5.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hexokinase HKDC1
CHEMBL1741200
 EC50 5.64 5.64 2270.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hexokinase HKDC1 EC50 = 2270.0 nM 5.64 PUBCHEM_BIOASSAY: Dose Response confirmation of activators of hexokinase domain ... -

Data from ChEMBL 36 via Core Engine