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Compound Detail

CHEMBL60690

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CC/N=C(\S)Nc1nc2nc(NCCCN(CC)CC)ncc2cc1-c1c(Cl)cccc1Cl

Basic Information

ChEMBL ID CHEMBL60690
Phase Preclinical
Structure Type MOL
InChI Key HFLUEICUUCYLAK-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

506.5
MW (Da)
5.86
ALogP
6
HBA
3
HBD
78.3
PSA (Ų)
0.14
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H29Cl2N7S
MW 506.51
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.19

Activity Summary

IC50 3 meas. best 6.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proto-oncogene tyrosine-protein kinase Src
CHEMBL3655
IC50 6.89 6.89 130.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 6.58 6.58 260.0 1
Platelet-derived growth factor receptor beta
CHEMBL2749
IC50 5.3 5.3 5000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11384237 10.1021/jm0004291 Platelet-derived growth factor receptor beta 1
11384237 10.1021/jm0004291 Fibroblast growth factor receptor 1 1
11384237 10.1021/jm0004291 Proto-oncogene tyrosine-protein kinase Src 1

Data from ChEMBL 36 via Core Engine