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Compound Detail

CHEMBL572155

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O=CC1=C(Sc2ccccc2)c2sc3nc4n(c(=O)c3c2CC1)CCCCC4
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL572155
Phase Preclinical
Structure Type MOL
InChI Key JYUUMXIKCITNRY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

408.6
MW (Da)
4.83
ALogP
6
HBA
0
HBD
52.0
PSA (Ų)
0.58
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 C22H20N2O2S2
MW 408.55
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.97

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