Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL388809

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Cc1n[nH]c2ccc(-c3cncc(OC[C@@H](N)Cc4c(F)cc(F)cc4F)c3)cc12

Basic Information

ChEMBL ID CHEMBL388809
Phase Preclinical
Structure Type MOL
InChI Key RAVXBSQKUMKVLM-INIZCTEOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

412.4
MW (Da)
4.30
ALogP
4
HBA
2
HBD
76.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19F3N4O
MW 412.42
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.19

Activity Summary

IC50 1 meas. best 7.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAC-alpha serine/threonine-protein kinase
CHEMBL4282
IC50 7.51 7.51 31.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RAC-alpha serine/threonine-protein kinase IC50 = 31.0 nM 7.51 Inhibition of human Akt1 17523610

Literature References

PubMed DOI Target Context # Activities
17523610 10.1021/jm0701019 RAC-alpha serine/threonine-protein kinase 1
17523610 10.1021/jm0701019 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine