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Compound Detail

CHEMBL378759

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Cc1n[nH]c2ccc(-c3cncc(SC[C@@H](N)Cc4c[nH]c5ccccc45)c3)cc12

Basic Information

ChEMBL ID CHEMBL378759
Phase Preclinical
Structure Type MOL
InChI Key VTKDDGLPRHAYLO-IBGZPJMESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

413.6
MW (Da)
5.08
ALogP
4
HBA
3
HBD
83.4
PSA (Ų)
0.34
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 C24H23N5S
MW 413.55
Aromatic Rings 5
Heavy Atoms 30
NP-Likeness -0.77

Activity Summary

Ki 1 meas. best 6.61

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAC-alpha serine/threonine-protein kinase
CHEMBL4282
Ki 6.61 6.61 244.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RAC-alpha serine/threonine-protein kinase Ki = 244.0 nM 6.61 Inhibition of Akt1 in presence of 10 uM ATP 16678413

Literature References

PubMed DOI Target Context # Activities
16678413 10.1016/j.bmcl.2006.04.046 RAC-alpha serine/threonine-protein kinase 1

Data from ChEMBL 36 via Core Engine