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Compound Detail

CHEMBL3814918

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CCOC(=O)CO/N=C/c1c(N)ncnc1Oc1ccc(NC(=O)C2(C(=O)Nc3ccc(F)cc3)CC2)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3814918
Phase Preclinical
Structure Type MOL
InChI Key KUVZWOBRAXVEFQ-DPWJMMOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

554.5
MW (Da)
3.40
ALogP
10
HBA
3
HBD
167.1
PSA (Ų)
0.14
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H24F2N6O6
MW 554.51
Aromatic Rings 3
Heavy Atoms 40
NP-Likeness -1.28

Literature References

PubMed DOI Target Context # Activities
27068889 10.1016/j.bmc.2016.03.061 NON-PROTEIN TARGET 1
27068889 10.1016/j.bmc.2016.03.061 No relevant target 1

Data from ChEMBL 36 via Core Engine