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

CHEMBL1180787

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
CCCCCCCCCCCCCCOc1c(OC)cc(CN(C(C)=O)c2cccc(C[n+]3csc(C)c3)c2)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1180787
Phase Preclinical
Structure Type MOL
InChI Key ACLJJAFPGUWDAH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

609.9
MW (Da)
9.04
ALogP
5
HBA
0
HBD
51.9
PSA (Ų)
0.09
QED
2
Ro5 Violations
21
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H53N2O4S+
MW 609.90
Aromatic Rings 3
Heavy Atoms 43
NP-Likeness -0.53

Data from ChEMBL 36 via Core Engine