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Compound Detail

CHEMBL5922520

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CC(C)(C)c1cc(NC(=O)Nc2ncc(CCc3ccnc(NC(=O)CO)c3)s2)n(-c2ccc(Cl)cc2)n1

Basic Information

ChEMBL ID CHEMBL5922520
Phase Preclinical
Structure Type MOL
InChI Key IMUXWLNUEASKKD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

554.1
MW (Da)
5.03
ALogP
8
HBA
4
HBD
134.1
PSA (Ų)
0.24
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H28ClN7O3S
MW 554.08
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -1.67

Activity Summary

IC50 1 meas. best 6.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
IC50 6.74 6.74 181.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine