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Compound Detail

CHEMBL374742

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c1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL374742
Phase Preclinical
Structure Type MOL
InChI Key LKFDJWGYWDCRPC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

303.4
MW (Da)
3.75
ALogP
2
HBA
2
HBD
40.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21N3
MW 303.41
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.36

Activity Summary

IC50 1 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAC-beta serine/threonine-protein kinase
CHEMBL2431
 IC50 6.7 6.7 200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RAC-beta serine/threonine-protein kinase IC50 = 200.0 nM 6.7 Inhibition of PKBbeta by radiometric filter binding assay 17451234

Literature References

PubMed DOI Target Context # Activities
17451234 10.1021/jm070091b RAC-beta serine/threonine-protein kinase 1

Data from ChEMBL 36 via Core Engine