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

CHEMBL172872

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
O=C(CCCN1CCN(C/C=C/c2ccccc2)CC1)NC1c2ccccc2CSc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL172872
Phase Preclinical
Structure Type MOL
InChI Key IRXNIDKGCMSOEL-XYOKQWHBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

497.7
MW (Da)
5.61
ALogP
4
HBA
1
HBD
35.6
PSA (Ų)
0.44
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H35N3OS
MW 497.71
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -0.83

Data from ChEMBL 36 via Core Engine