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Compound Detail

CHEMBL3120321

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CCOc1cccc2c1/C(=C(/CC)c1cccc(N(CC)S(C)(=O)=O)c1)c1ccccc1OC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3120321
Phase Preclinical
Structure Type MOL
InChI Key JLPKDDOHJYKBDN-NFFVHWSESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

477.6
MW (Da)
6.13
ALogP
4
HBA
0
HBD
55.8
PSA (Ų)
0.41
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H31NO4S
MW 477.63
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.81

Literature References

PubMed DOI Target Context # Activities
24446728 10.1021/jm401616g Progesterone receptor 1
24446728 10.1021/jm401616g Mineralocorticoid receptor 1
24446728 10.1021/jm401616g Androgen receptor 1
24446728 10.1021/jm401616g Glucocorticoid receptor 1

Data from ChEMBL 36 via Core Engine