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Compound Detail

CHEMBL4099128

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COc1ccc2sc3c(c2c1)CCN(Cc1cccnc1)C3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4099128
Phase Preclinical
Structure Type MOL
InChI Key PIDDPRPGNOFOFS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

310.4
MW (Da)
3.86
ALogP
4
HBA
0
HBD
25.4
PSA (Ų)
0.73
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 C18H18N2OS
MW 310.42
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.57

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