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Compound Detail

CHEMBL3621300

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CSCCCNC(=O)c1ccc2c(c1)NC(=O)/C2=C\c1[nH]c(C)cc1C

Basic Information

ChEMBL ID CHEMBL3621300
Phase Preclinical
Structure Type MOL
InChI Key VCJNXPLAUFQNOZ-WJDWOHSUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

369.5
MW (Da)
3.61
ALogP
3
HBA
3
HBD
74.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23N3O2S
MW 369.49
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.87

Activity Summary

IC50 1 meas. best 6.61

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor alpha
CHEMBL2007
IC50 6.61 6.61 245.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-derived growth factor receptor alpha IC50 = 245.0 nM 6.61 Inhibition of PDGFRa (unknown origin) -

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C4MD00211C Platelet-derived growth factor receptor beta 1
- 10.1039/C4MD00211C Platelet-derived growth factor receptor alpha 1
- 10.1039/C4MD00211C Vascular endothelial growth factor receptor 2 1
- 10.1039/C4MD00211C Vascular endothelial growth factor receptor 1 1

Data from ChEMBL 36 via Core Engine