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Compound Detail

CHEMBL1214664

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CC(C)(C)OC(=O)Nc1ccc(-c2ccc(Cc3ccncc3)cc2)cc1NC(=O)OC(C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1214664
Phase Preclinical
Structure Type MOL
InChI Key YDMMUPHRKXXENU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

475.6
MW (Da)
7.03
ALogP
5
HBA
2
HBD
89.5
PSA (Ų)
0.41
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H33N3O4
MW 475.59
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.71

Literature References

PubMed DOI Target Context # Activities
20684610 10.1021/jm100317b Steroid 17-alpha-hydroxylase/17,20 lyase 1

Data from ChEMBL 36 via Core Engine