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

CHEMBL1195529

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
Oc1ccc2c(c1)OC[C@H](c1ccccc1)[C@@H]2c1ccc(SCCN2CCCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1195529
Phase Preclinical
Structure Type MOL
InChI Key MVLCAJYSCDCLPF-XNMGPUDCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

431.6
MW (Da)
5.89
ALogP
4
HBA
1
HBD
32.7
PSA (Ų)
0.49
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H29NO2S
MW 431.60
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.08

Data from ChEMBL 36 via Core Engine