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Compound Detail

CHEMBL4078455

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CC(C)(C)OC(=O)Nc1ccc2sc3c(c2c1)CCN(Cc1cccnc1)C3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4078455
Phase Preclinical
Structure Type MOL
InChI Key FWEHKEHDWIKQIM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

395.5
MW (Da)
5.20
ALogP
5
HBA
1
HBD
54.5
PSA (Ų)
0.66
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25N3O2S
MW 395.53
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.83

Literature References

PubMed DOI Target Context # Activities
28350999 10.1016/j.ejmech.2017.03.037 Steroid 17-alpha-hydroxylase/17,20 lyase 1

Data from ChEMBL 36 via Core Engine