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Compound Detail

CHEMBL5181455

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O=C(Nc1ccc2c(c1)ncn2-c1ccccc1)c1c(O)nn2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5181455
Phase Preclinical
Structure Type MOL
InChI Key FRBGKGJFRODAFN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

369.4
MW (Da)
3.63
ALogP
6
HBA
2
HBD
84.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H15N5O2
MW 369.38
Aromatic Rings 5
Heavy Atoms 28
NP-Likeness -1.80

Literature References

PubMed DOI Target Context # Activities
36162075 10.1021/acs.jmedchem.2c00496 Dihydroorotate dehydrogenase (quinone), mitochondrial 1
36162075 10.1021/acs.jmedchem.2c00496 No relevant target 1

Data from ChEMBL 36 via Core Engine