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Compound Detail

CHEMBL5208395

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CCc1nc2c(C)cc(-c3ccc(CO)cc3)cn2c1NC(=O)OCc1ccc(F)c(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5208395
Phase Preclinical
Structure Type MOL
InChI Key OGOMPRYATWBQDV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

451.5
MW (Da)
5.39
ALogP
5
HBA
2
HBD
75.9
PSA (Ų)
0.41
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23F2N3O3
MW 451.47
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.12

Literature References

PubMed DOI Target Context # Activities
35436669 10.1016/j.ejmech.2022.114307 Autotaxin 1

Data from ChEMBL 36 via Core Engine