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Compound Detail

CHEMBL197610

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CCN(CC)CCCNc1nccc2c(C)c3[nH]c4ncccc4c3cc12

Basic Information

ChEMBL ID CHEMBL197610
Phase Preclinical
Structure Type MOL
InChI Key QGAMUVOPYWEQSU-UHFFFAOYSA-N
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

361.5
MW (Da)
4.72
ALogP
4
HBA
2
HBD
56.8
PSA (Ų)
0.47
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 C22H27N5
MW 361.49
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.79

Activity Summary

IC50 4 meas. best 6.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mast/stem cell growth factor receptor Kit
CHEMBL1936
IC50 6.6 6.12 250.0 4

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16190746 10.1021/jm050231m Mast/stem cell growth factor receptor Kit 4

Data from ChEMBL 36 via Core Engine