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Compound Detail

CHEMBL511831

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Cc1[nH]c(/C=C2\C(=O)Nc3ccc(C(=O)NNc4ccccc4[N+](=O)[O-])cc32)c(C)c1CCC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL511831
Phase Preclinical
Structure Type MOL
InChI Key ZTIOBQBKOVYRPF-PDGQHHTCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

489.5
MW (Da)
3.81
ALogP
6
HBA
5
HBD
166.5
PSA (Ų)
0.18
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23N5O6
MW 489.49
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.05

Literature References

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

Data from ChEMBL 36 via Core Engine