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Compound Detail

CHEMBL383254

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NCC(c1ccccc1)c1cncc(/C=C/c2ccncc2)c1

Basic Information

ChEMBL ID CHEMBL383254
Phase Preclinical
Structure Type MOL
InChI Key PSKXKMKENKURHT-VOTSOKGWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

301.4
MW (Da)
3.74
ALogP
3
HBA
1
HBD
51.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19N3
MW 301.39
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.35

Activity Summary

IC50 1 meas. best 6.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAC-alpha serine/threonine-protein kinase
CHEMBL4282
IC50 6.55 6.55 284.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RAC-alpha serine/threonine-protein kinase IC50 = 284.0 nM 6.55 Inhibition of Akt1 using 10 uM ATP 16403626

Literature References

PubMed DOI Target Context # Activities
16403626 10.1016/j.bmcl.2005.12.017 RAC-alpha serine/threonine-protein kinase 1

Data from ChEMBL 36 via Core Engine