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Compound Detail

CHEMBL3696237

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O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1ccsc1

Basic Information

ChEMBL ID CHEMBL3696237
Phase Preclinical
Structure Type MOL
InChI Key ZBKIVGSUUWWODP-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

320.4
MW (Da)
0.85
ALogP
6
HBA
2
HBD
87.3
PSA (Ų)
0.87
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 C14H16N4O3S
MW 320.37
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -2.50

Activity Summary

IC50 2 meas. best 7.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAC-alpha serine/threonine-protein kinase
CHEMBL4282
IC50 7.64 7.64 23.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine