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

CHEMBL4456540

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
C#CCN(CC(=O)NCCCn1c(Sc2ccc(/C=C3\SC(=O)N(C(C)C)C3=O)o2)nc2ccccc21)C(=O)CCCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4456540
Phase Preclinical
Structure Type MOL
InChI Key JJMIVAUFPAKKHS-PLRJNAJWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

621.8
MW (Da)
5.38
ALogP
9
HBA
1
HBD
117.8
PSA (Ų)
0.14
QED
2
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H35N5O5S2
MW 621.79
Aromatic Rings 3
Heavy Atoms 43
NP-Likeness -2.03

Data from ChEMBL 36 via Core Engine