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Compound Detail

CHEMBL265194

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Cc1nc2c(N3CCC(N)CC3)ncnc2[nH]1

Basic Information

ChEMBL ID CHEMBL265194
Phase Preclinical
Structure Type MOL
InChI Key VNNDRKUYJKCTAU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

232.3
MW (Da)
0.59
ALogP
5
HBA
2
HBD
83.7
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H16N6
MW 232.29
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -1.40

Activity Summary

IC50 1 meas. best 3.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAC-beta serine/threonine-protein kinase
CHEMBL2431
IC50 3.96 3.96 110000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RAC-beta serine/threonine-protein kinase IC50 = 110000.0 nM 3.96 Inhibition of PKBbeta recombinant by radiometric filter binding assay 18345609

Literature References

PubMed DOI Target Context # Activities
18345609 10.1021/jm701437d RAC-beta serine/threonine-protein kinase 1
18345609 10.1021/jm701437d Unchecked 1
18345609 10.1021/jm701437d NON-PROTEIN TARGET 1
18345609 10.1021/jm701437d Glycogen synthase kinase-3 beta 1

Data from ChEMBL 36 via Core Engine