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Compound Detail

CHEMBL385459

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NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)[C@@H](Cc2ccc(CP(=O)(O)O)cc2)NC(=O)Cn2cc(nn2)CCCNC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL385459
Phase Preclinical
Structure Type MOL
InChI Key JEJIUKMBFQBJQM-YADHBBJMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

646.6
MW (Da)
-1.07
ALogP
9
HBA
7
HBD
247.7
PSA (Ų)
0.19
QED
2
Ro5 Violations
6
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 2
Heavy Atoms 45
NP-Likeness 0.38

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