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Compound Detail

CHEMBL470756

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

Basic Information

ChEMBL ID CHEMBL470756
Phase Preclinical
Structure Type MOL
InChI Key PQEBQUDONNQITA-MTJSOVHGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

469.5
MW (Da)
3.77
ALogP
5
HBA
5
HBD
147.1
PSA (Ų)
0.26
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H23N5O4
MW 469.50
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.01

Literature References

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

Data from ChEMBL 36 via Core Engine