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Compound Detail

CHEMBL1339933

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CCN(CC)S(=O)(=O)c1ccc2[nH]c(COC(=O)c3[nH]nc4ccccc34)nc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1339933
Phase Preclinical
Structure Type MOL
InChI Key IDBUYBIWHUUWRC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

427.5
MW (Da)
2.83
ALogP
6
HBA
2
HBD
121.0
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21N5O4S
MW 427.49
Aromatic Rings 4
Heavy Atoms 30
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
CHEMBL2637
 IC50 6.4 6.4 401.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 10 IC50 = 401.0 nM 6.4 PUBCHEM_BIOASSAY: Dose response biochemical screening assay for inhibitors of c-... -

Data from ChEMBL 36 via Core Engine