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Compound Detail

CHEMBL21078

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Cc1ccc(NC(=O)c2ccccc2)cc1Nc1nccc(-c2cccs2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL21078
Phase Preclinical
Structure Type MOL
InChI Key RDKRQGLVFPXDTQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

386.5
MW (Da)
5.51
ALogP
5
HBA
2
HBD
66.9
PSA (Ų)
0.47
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18N4OS
MW 386.48
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -2.04

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(96)00197-7 Platelet-derived growth factor receptor 1
- 10.1016/0960-894X(96)00197-7 Epidermal growth factor receptor 1
- 10.1016/0960-894X(96)00197-7 Proto-oncogene tyrosine-protein kinase Src 1
- 10.1016/0960-894X(96)00197-7 Protein kinase C alpha type 1
- 10.1016/0960-894X(96)00197-7 Protein kinase C delta type 1
- 10.1016/0960-894X(96)00197-7 cAMP-dependent protein kinase (PKA) 1

Data from ChEMBL 36 via Core Engine