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Compound Detail

CHEMBL189223

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N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCCn2cncn2)n1

Basic Information

ChEMBL ID CHEMBL189223
Phase Preclinical
Structure Type MOL
InChI Key DAEOWAHJDLWYEO-FOWTUZBSSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

362.4
MW (Da)
2.59
ALogP
9
HBA
2
HBD
104.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14N8S
MW 362.42
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.92

Activity Summary

IC50 1 meas. best 6.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 10
CHEMBL4092
IC50 6.4 6.4 397.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 10 IC50 = 397.0 nM 6.4 Inhibition of rat c-Jun N-terminal kinase 3 15999997

Literature References

PubMed DOI Target Context # Activities
15999997 10.1021/jm0310986 Mitogen-activated protein kinase 10 1

Data from ChEMBL 36 via Core Engine