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Compound Detail

CHEMBL57058

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O=C(Cc1cccnc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL57058
Phase Preclinical
Structure Type MOL
InChI Key DDEBMFBOWGAMAX-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

197.2
MW (Da)
2.51
ALogP
2
HBA
0
HBD
30.0
PSA (Ų)
0.71
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 C13H11NO
MW 197.24
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -0.81

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
874952 10.1021/jm00216a005 Cytochrome P450 11B1, mitochondrial 2
6606707 10.1021/jm00367a004 Cytochrome P450 11B1, mitochondrial 1

Data from ChEMBL 36 via Core Engine