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Compound Detail

CHEMBL2417618

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c1ccc(-c2ccc(Nc3cccnc3)cn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2417618
Phase Preclinical
Structure Type MOL
InChI Key UQEPBYOPDRZWME-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

247.3
MW (Da)
3.89
ALogP
3
HBA
1
HBD
37.8
PSA (Ų)
0.76
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 C16H13N3
MW 247.30
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -1.52

Literature References

PubMed DOI Target Context # Activities
23869452 10.1021/jm400240r Cytochrome P450 11B2, mitochondrial 1
23869452 10.1021/jm400240r Cytochrome P450 11B1, mitochondrial 1

Data from ChEMBL 36 via Core Engine