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Compound Detail

CHEMBL2235210

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O=C(c1ccccc1)N1N=C2/C(=C/c3ccc(F)cc3)CCCC2C1c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2235210
Phase Preclinical
Structure Type MOL
InChI Key JBRNEVFTJPFTDM-HEHNFIMWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

428.5
MW (Da)
6.40
ALogP
2
HBA
0
HBD
32.7
PSA (Ų)
0.47
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H22F2N2O
MW 428.48
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.87

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-010-9521-0 NON-PROTEIN TARGET 1
- 10.1007/s00044-010-9521-0 RAW264.7 1

Data from ChEMBL 36 via Core Engine