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

CHEMBL5829880

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
COc1ccccc1[C@H](Cn1c(=O)n(C2(C(=O)NS(C)(=O)=O)CC2)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCOCC1

Basic Information

ChEMBL ID CHEMBL5829880
Phase Preclinical
Structure Type MOL
InChI Key KREOBHLOFRFHHT-NRFANRHFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

644.7
MW (Da)
2.70
ALogP
13
HBA
1
HBD
161.0
PSA (Ų)
0.27
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H32N4O9S2
MW 644.73
Aromatic Rings 4
Heavy Atoms 44
NP-Likeness -0.58

Data from ChEMBL 36 via Core Engine