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Compound Detail

CHEMBL383702

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CS(=O)(=O)Nc1ccc(-c2cncc(OC[C@@H](N)Cc3c[nH]c4ccccc34)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL383702
Phase Preclinical
Structure Type MOL
InChI Key WNXJSXBPKJWPJT-IBGZPJMESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

436.5
MW (Da)
3.55
ALogP
5
HBA
3
HBD
110.1
PSA (Ų)
0.39
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24N4O3S
MW 436.54
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.95

Activity Summary

IC50 1 meas. best 4.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAC-alpha serine/threonine-protein kinase
CHEMBL4282
 IC50 4.48 4.48 33010.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RAC-alpha serine/threonine-protein kinase IC50 = 33010.0 nM 4.48 Inhibition of Akt1 at 10 uM ATP 16413780

Literature References

PubMed DOI Target Context # Activities
16413780 10.1016/j.bmcl.2005.12.065 RAC-alpha serine/threonine-protein kinase 1

Data from ChEMBL 36 via Core Engine