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

CHEMBL4076526

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(O)/C=C/c1ccc(Nc2c(-c3ccc(O)cc3)sc3cc(O)ccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4076526
Phase Preclinical
Structure Type MOL
InChI Key LLTGDAJTZYQHQP-KGVSQERTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

403.5
MW (Da)
5.82
ALogP
5
HBA
4
HBD
89.8
PSA (Ų)
0.32
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H17NO4S
MW 403.46
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.17

Literature References

PubMed DOI Target Context # Activities
29562737 10.1021/acs.jmedchem.7b01682 Estrogen receptor 2

Data from ChEMBL 36 via Core Engine