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Compound Detail

CHEMBL1644949

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O=C1NCN(c2ccccc2)C12CCN(CCCC(O)c1ccc(F)cc1)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1644949
Phase Preclinical
Structure Type MOL
InChI Key YSRGOOQOJKGMEG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

397.5
MW (Da)
3.07
ALogP
4
HBA
2
HBD
55.8
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H28FN3O2
MW 397.49
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.56

Literature References

PubMed DOI Target Context # Activities
21126871 10.1016/j.bmcl.2010.11.029 H4 1

Data from ChEMBL 36 via Core Engine