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Compound Detail

CHEMBL1215662

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Oc1ccc(-c2ccc(C(O)n3ccnc3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1215662
Phase Preclinical
Structure Type MOL
InChI Key ZYNBWUOKYVUBFF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

266.3
MW (Da)
2.79
ALogP
4
HBA
2
HBD
58.3
PSA (Ų)
0.77
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 C16H14N2O2
MW 266.30
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.35

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