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Compound Detail

CHEMBL578830

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O=CC1=C(Cl)c2sc3nc4n(c(=O)c3c2CCC1)CCCCC4
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL578830
Phase Preclinical
Structure Type MOL
InChI Key SWENRCJTGPMICB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

348.9
MW (Da)
3.67
ALogP
5
HBA
0
HBD
52.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17ClN2O2S
MW 348.86
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.01

Literature References

PubMed DOI Target Context # Activities
19824648 10.1021/jm900928k Estrogen receptor 1

Data from ChEMBL 36 via Core Engine