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Compound Detail

CHEMBL481504

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Cc1[nH]c(/C=C2\C(=O)Nc3ccc(C(=O)NNc4ccc(C(F)(F)F)cc4)cc32)c(C)c1CCC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL481504
Phase Preclinical
Structure Type MOL
InChI Key JKBFDUURVUUEQC-NDENLUEZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

512.5
MW (Da)
4.92
ALogP
4
HBA
5
HBD
123.3
PSA (Ų)
0.23
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H23F3N4O4
MW 512.49
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -0.94

Literature References

PubMed DOI Target Context # Activities
19110422 10.1016/j.bmcl.2008.12.023 HUVEC 2

Data from ChEMBL 36 via Core Engine