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Compound Detail

CHEMBL403987

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O=c1[nH]ccc2c3[nH]c(C4CCCC4)nc3c3ccc(F)cc3c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL403987
Phase Preclinical
Structure Type MOL
InChI Key XQCVNFDLYVUIEG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

321.4
MW (Da)
4.35
ALogP
2
HBA
2
HBD
61.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16FN3O
MW 321.36
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -0.55

Literature References

PubMed DOI Target Context # Activities
18029174 10.1016/j.bmcl.2007.10.033 Unchecked 1

Data from ChEMBL 36 via Core Engine