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Compound Detail

CHEMBL1472492

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CCCCCCCCCCCCCCCC[n+]1ccn(Cc2ccccc2)c1C

Basic Information

ChEMBL ID CHEMBL1472492
Phase Preclinical
Structure Type MOL
InChI Key ZZXUNAFAKNKXFW-UHFFFAOYSA-N
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

397.7
MW (Da)
7.61
ALogP
1
HBA
0
HBD
8.8
PSA (Ų)
0.19
QED
1
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H45N2+
MW 397.67
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.22

Activity Summary

Ki 7 meas. best 6.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase ITK/TSK
CHEMBL2959
Ki 6.2 6.2 631.0 1
Serine/threonine-protein kinase pim-2
CHEMBL4523
Ki 6.2 6.2 631.0 1
Tyrosine-protein kinase JAK2
CHEMBL2971
Ki 6.1 6.1 794.3 1
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
Ki 5.9 5.9 1258.9 1
Epidermal growth factor receptor
CHEMBL203
Ki 5.8 5.8 1584.9 1
Non-receptor tyrosine-protein kinase TYK2
CHEMBL3553
Ki 5.8 5.8 1584.9 1
Serine/threonine-protein kinase PLK4
CHEMBL3788
Ki 5.5 5.5 3162.3 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2

Data from ChEMBL 36 via Core Engine