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Compound Detail

CHEMBL3219071

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O=c1c2ccccc2[nH]c2ccc(Cn3ccnc3)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3219071
Phase Preclinical
Structure Type MOL
InChI Key FIDMGZIHLUYARK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

275.3
MW (Da)
2.93
ALogP
3
HBA
1
HBD
50.7
PSA (Ų)
0.57
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 C17H13N3O
MW 275.31
Aromatic Rings 4
Heavy Atoms 21
NP-Likeness -1.00

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C2MD20072D Cytochrome P450 11B1, mitochondrial 2
- 10.1039/C2MD20072D Cytochrome P450 11B2, mitochondrial 2
- 10.1039/C2MD20072D Aromatase 2
- 10.1039/C2MD20072D Steroid 17-alpha-hydroxylase/17,20 lyase 1

Data from ChEMBL 36 via Core Engine