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Compound Detail

CHEMBL381703

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N[C@H](CNc1cnc(Cl)c(/C=C/c2ccncc2)c1)CC1CNc2ccccc21

Basic Information

ChEMBL ID CHEMBL381703
Phase Preclinical
Structure Type MOL
InChI Key UIJYBPOFYCKFKS-BGCYOVRJSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

405.9
MW (Da)
4.64
ALogP
5
HBA
3
HBD
75.9
PSA (Ų)
0.50
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24ClN5
MW 405.93
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.20

Activity Summary

IC50 1 meas. best 7.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAC-alpha serine/threonine-protein kinase
CHEMBL4282
IC50 7.1 7.1 79.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RAC-alpha serine/threonine-protein kinase IC50 = 79.0 nM 7.1 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