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Compound Detail

CHEMBL3926492

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O=C(NCc1cccnc1)Nc1nc(-c2ccncc2)cs1

Basic Information

ChEMBL ID CHEMBL3926492
Phase Preclinical
Structure Type MOL
InChI Key UVCNPTDIRPHZPO-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

311.4
MW (Da)
2.92
ALogP
5
HBA
2
HBD
79.8
PSA (Ų)
0.78
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 C15H13N5OS
MW 311.37
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -2.45

Activity Summary

IC50 2 meas. best 6.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rho-associated protein kinase 2
CHEMBL2973
IC50 6.31 6.31 490.0 1
Rho-associated protein kinase 1
CHEMBL3231
IC50 6.04 6.04 910.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine