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

CHEMBL4116163

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
CCOC(=O)C(CC)[N+]1(C)CCc2cc(OC)c3cc2[C@@H]1Cc1ccc(cc1)Oc1cc(ccc1OC)C[C@H]1c2c(cc(OC)c(OC)c2O3)CCN1C

Basic Information

ChEMBL ID CHEMBL4116163
Phase Preclinical
Structure Type MOL
InChI Key CSEYMRJBFYAGCB-JZVKQJDNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

737.9
MW (Da)
8.02
ALogP
9
HBA
0
HBD
84.9
PSA (Ų)
0.13
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C44H53N2O8+
MW 737.91
Aromatic Rings 4
Heavy Atoms 54
NP-Likeness 1.55

Data from ChEMBL 36 via Core Engine