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Compound Detail

CHEMBL287730

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Cc1c(-c2ccc(-n3ccnc3)cc2)nc2ccc(F)cc2c1C(=O)[O-].[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL287730
Phase Preclinical
Structure Type MOL
InChI Key QLGWFFNTORJPJY-UHFFFAOYSA-M
Parent Compound CHEMBL1206617
Active Moiety CHEMBL1206617
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

347.4
MW (Da)
4.23
ALogP
4
HBA
1
HBD
68.0
PSA (Ų)
0.60
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 C20H13FN3NaO2
MW 369.33
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.59

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00252-O Dihydroorotate dehydrogenase (quinone), mitochondrial 1
- 10.1016/0960-894X(95)00252-O ADMET 1

Data from ChEMBL 36 via Core Engine