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Compound Detail

CHEMBL3298929

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CC(C)(C)OC(=O)NN(Cc1ccccc1)C(=O)CN1C(=O)C=CC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3298929
Phase Preclinical
Structure Type MOL
InChI Key ZHKBXYYPMBVKBW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

359.4
MW (Da)
1.38
ALogP
5
HBA
1
HBD
96.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21N3O5
MW 359.38
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.52

Activity Summary

IC50 1 meas. best 5.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAC-alpha serine/threonine-protein kinase
CHEMBL4282
 IC50 5.33 5.33 4680.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RAC-alpha serine/threonine-protein kinase IC50 = 4680.0 nM 5.33 Inhibition of AKT1 (unknown origin) after 1 hr by Z'-LYTE kinase assay in presen... 24900862

Literature References

PubMed DOI Target Context # Activities
24900862 10.1021/ml500088x RAC-alpha serine/threonine-protein kinase 1

Data from ChEMBL 36 via Core Engine