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

CHEMBL3417525

BI 665915
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
CN(C)C(=O)Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)cc3)C3CC3)no2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3417525
Name BI 665915
Phase Preclinical
Structure Type MOL
InChI Key QGPXEIMWTKWHMH-DEOSSOPVSA-N
2
Targets
8
Activities
1
Assay Types
10
PK Parameters
20
Publications
0
Known Names

Molecular Properties

458.5
MW (Da)
2.78
ALogP
9
HBA
1
HBD
128.8
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug Chemical Probe

Extended Properties

Molecular Formula C24H26N8O2
MW 458.53
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.55

Activity Summary

IC50 8 meas. best 8.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Arachidonate 5-lipoxygenase-activating protein
CHEMBL4550
 IC50 8.77 7.6686 1.7 7
Arachidonate 5-lipoxygenase-activating protein
CHEMBL3414408
 IC50 5.32 5.32 4800.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 7.0 % Rattus norvegicus
CL 2.8 % Canis lupus familiaris
CL 3.6 % Macaca fascicularis
F 63.0 % Rattus norvegicus
F 58.0 % Canis lupus familiaris
F 45.0 % Macaca fascicularis
Fu 0.047 - Homo sapiens
MRT 3.1 hr Rattus norvegicus
MRT 23.0 hr Canis lupus familiaris
MRT 4.8 hr Macaca fascicularis

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Arachidonate 5-lipoxygenase-activating protein IC50 = 1.7 nM 8.77 Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell mem... 25671290
Arachidonate 5-lipoxygenase-activating protein IC50 = 1.7 nM 8.77 Binding assay -
Arachidonate 5-lipoxygenase-activating protein IC50 = 1.7 nM 8.77 Affinity Biochemical interaction (Binding assay (measuring radio-labeled ligand ... -
Arachidonate 5-lipoxygenase-activating protein IC50 = 45.0 nM 7.35 Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibi... 25671290
Arachidonate 5-lipoxygenase-activating protein IC50 = 45.0 nM 7.35 Functional inhibition in human whole blood -
Arachidonate 5-lipoxygenase-activating protein IC50 = 45.0 nM 7.35 Affinity Phenotypic Cellular interaction (LTB4 Human Whole Blood Assay) EUB00007... -
Arachidonate 5-lipoxygenase-activating protein IC50 = 4800.0 nM 5.32 Inhibition of FLAP in calcimycin-stimulated mouse whole blood assessed as inhibi... 25671290
Arachidonate 5-lipoxygenase-activating protein IC50 = 4800.0 nM 5.32 Functional inhibition in mouse whole blood -

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4507276 Tyrosine-protein kinase ABL1 21
- 10.6019/CHEMBL4507276 Epidermal growth factor receptor 18
- 10.6019/CHEMBL4507276 Receptor-type tyrosine-protein kinase FLT3 13
- 10.6019/CHEMBL5724558 Colon cancer organoid 12
- 10.6019/CHEMBL4507276 Mast/stem cell growth factor receptor Kit 12
- 10.6019/CHEMBL5674860 Colon cancer organoid 12
- 10.6019/CHEMBL5303304 Fibroblast 11
- 10.6019/CHEMBL4507276 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 10
- 10.6019/CHEMBL4689842 HEK-293T 9
- 10.6019/CHEMBL4689842 U2OS 9
- 10.6019/CHEMBL4689842 Fibroblast 9
- 10.6019/CHEMBL5303304 U2OS 8
- 10.6019/CHEMBL4507276 Proto-oncogene tyrosine-protein kinase receptor Ret 7
- 10.6019/CHEMBL5608141 Colon cancer organoid 6
25671290 10.1021/jm501185j Plasma 6
25671290 10.1021/jm501185j Mus musculus 6
- 10.6019/CHEMBL4507276 Voltage-dependent L-type calcium channel subunit alpha-1C 5
- 10.6019/CHEMBL4507276 Platelet-derived growth factor receptor alpha 5
- 10.1158/2159-8290.CD-23-0050 Colon cancer organoid 5
- 10.6019/CHEMBL4507276 Unchecked 5

Data from ChEMBL 36 via Core Engine