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Compound Detail

CHEMBL255759

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COc1ccc(-c2ccc(Cn3ccnc3)cn2)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL255759
Phase Preclinical
Structure Type MOL
InChI Key ULJPHQBUSSNWMI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

295.3
MW (Da)
3.01
ALogP
5
HBA
0
HBD
49.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17N3O2
MW 295.34
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.24

Literature References

PubMed DOI Target Context # Activities
18061460 10.1016/j.bmc.2007.10.094 Steroid 17-alpha-hydroxylase/17,20 lyase 2
24900349 10.1021/ml100283h Cytochrome P450 11B1, mitochondrial 1
24900349 10.1021/ml100283h Cytochrome P450 11B2, mitochondrial 1
24900349 10.1021/ml100283h Steroid 17-alpha-hydroxylase/17,20 lyase 1
24900349 10.1021/ml100283h Aromatase 1

Data from ChEMBL 36 via Core Engine