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Compound Detail

CHEMBL6007100

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Cc1cc(Nc2ncnc3[nH]ccc23)c(=O)n2c1C(=O)NC21CCS(=O)(=O)CC1

Basic Information

ChEMBL ID CHEMBL6007100
Phase Preclinical
Structure Type MOL
InChI Key OASWJZXRXNQVMI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

414.4
MW (Da)
0.78
ALogP
8
HBA
3
HBD
138.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18N6O4S
MW 414.45
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.91

Activity Summary

IC50 1 meas. best 8.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MAP kinase-interacting serine/threonine-protein kinase 1
CHEMBL4718
IC50 8.96 8.96 1.1 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine