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Compound Detail

CHEMBL439177

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C#CCCCNC(=O)[C@H](CC(N)=O)NC(=O)C1(NC(=O)[C@H](Cc2ccc(CP(=O)(O)O)cc2)NC(=O)CN=[N+]=[N-])CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL439177
Phase Preclinical
Structure Type MOL
InChI Key YXVHLEHNODYNLL-VXKWHMMOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

646.6
MW (Da)
0.41
ALogP
7
HBA
7
HBD
265.8
PSA (Ų)
0.03
QED
2
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H39N8O8P
MW 646.64
Aromatic Rings 1
Heavy Atoms 45
NP-Likeness -0.13

Literature References

PubMed DOI Target Context # Activities
16908148 10.1016/j.bmcl.2006.08.004 Growth factor receptor-bound protein 2 1

Data from ChEMBL 36 via Core Engine