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Compound Detail

CHEMBL378714

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CC#Cc1cc2cc(-c3cncc(OC[C@@H](N)Cc4c[nH]c5ccccc45)c3)ccc2cn1

Basic Information

ChEMBL ID CHEMBL378714
Phase Preclinical
Structure Type MOL
InChI Key JDRVIQDEIGTXLO-DEOSSOPVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

432.5
MW (Da)
5.10
ALogP
4
HBA
2
HBD
76.8
PSA (Ų)
0.37
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H24N4O
MW 432.53
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -0.14

Activity Summary

IC50 1 meas. best 6.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAC-alpha serine/threonine-protein kinase
CHEMBL4282
IC50 6.75 6.75 180.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RAC-alpha serine/threonine-protein kinase IC50 = 180.0 nM 6.75 Inhibition of Akt1 at 5 uM ATP 16603355

Literature References

PubMed DOI Target Context # Activities
16603355 10.1016/j.bmcl.2006.03.041 RAC-alpha serine/threonine-protein kinase 1

Data from ChEMBL 36 via Core Engine