Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4551202

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Cc1ccc(Oc2ccc(Nc3c(C#N)cnc4ccc(NC(=O)C5CSSC5)cc34)cc2C)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4551202
Phase Preclinical
Structure Type MOL
InChI Key YXFRZZSNPQBMER-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

513.6
MW (Da)
6.60
ALogP
8
HBA
2
HBD
99.9
PSA (Ų)
0.28
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H23N5O2S2
MW 513.65
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.32

Literature References

PubMed DOI Target Context # Activities
31023512 10.1016/j.bmcl.2019.04.029 Epidermal growth factor receptor 2

Data from ChEMBL 36 via Core Engine