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Compound Detail

CHEMBL569630

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CCCSC1=C(C=O)CCc2c1sc1nc3n(c(=O)c21)CCCCC3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL569630
Phase Preclinical
Structure Type MOL
InChI Key NPTZOAKVKKFTTK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

374.5
MW (Da)
4.18
ALogP
6
HBA
0
HBD
52.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22N2O2S2
MW 374.53
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.98

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