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Compound Detail

CHEMBL4473755

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CCN1CCN(c2cc(Nc3ncc(-c4ccc(NC(C)=O)cc4)s3)ncn2)CC1

Basic Information

ChEMBL ID CHEMBL4473755
Phase Preclinical
Structure Type MOL
InChI Key HRTDBNYJYGFMOU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

423.6
MW (Da)
3.44
ALogP
8
HBA
2
HBD
86.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25N7OS
MW 423.55
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -2.01

Activity Summary

IC50 1 meas. best 6.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mast/stem cell growth factor receptor Kit
CHEMBL1936
IC50 6.89 6.89 130.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
30968693 10.1021/acs.jmedchem.8b01845 GISTT1 2
30968693 10.1021/acs.jmedchem.8b01845 Mast/stem cell growth factor receptor Kit 1

Data from ChEMBL 36 via Core Engine