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Compound Detail

CHEMBL207829

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C(=C/c1cccnc1)\c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL207829
Phase Preclinical
Structure Type MOL
InChI Key RMSGACVDMOLUPL-CMDGGOBGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

181.2
MW (Da)
3.25
ALogP
1
HBA
0
HBD
12.9
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H11N
MW 181.24
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -0.51

Literature References

PubMed DOI Target Context # Activities
16570918 10.1021/jm060055x Cytochrome P450 11B2, mitochondrial 2
- 10.1584/jpestics.25.253 Bombyx mori 2
16570918 10.1021/jm060055x Cytochrome P450 11B1, mitochondrial 1
16570918 10.1021/jm060055x Aromatase 1
16570918 10.1021/jm060055x Steroid 17-alpha-hydroxylase/17,20 lyase 1

Data from ChEMBL 36 via Core Engine