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Compound Detail

CHEMBL5893481

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O=C(CN1C(=O)CCc2ccccc21)Nc1ccsc1-c1c[nH]cn1

Basic Information

ChEMBL ID CHEMBL5893481
Phase Preclinical
Structure Type MOL
InChI Key GFWLYZCXFSXTMS-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

352.4
MW (Da)
3.06
ALogP
4
HBA
2
HBD
78.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N4O2S
MW 352.42
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.62

Activity Summary

IC50 2 meas. best 5.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 8
CHEMBL2276
IC50 5.3 5.3 5050.0 1
Mitogen-activated protein kinase 10
CHEMBL2637
IC50 5.3 5.3 5050.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine