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

CHEMBL570358

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=CC1=C(SC2CCCC2)c2sc3nc4n(c(=O)c3c2CC1)CCCCC4
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL570358
Phase Preclinical
Structure Type MOL
InChI Key CSXQFDHPOSTQPU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

400.6
MW (Da)
4.72
ALogP
6
HBA
0
HBD
52.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24N2O2S2
MW 400.57
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.86

Literature References

PubMed DOI Target Context # Activities
19824648 10.1021/jm900928k 17-beta-hydroxysteroid dehydrogenase type 1 4
19824648 10.1021/jm900928k 17-beta-hydroxysteroid dehydrogenase type 2 2
19824648 10.1021/jm900928k Estrogen receptor 1
19824648 10.1021/jm900928k Estrogen receptor beta 1

Data from ChEMBL 36 via Core Engine