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Compound Detail

CHEMBL363597

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Cc1ccc2c(ccn2C[C@@H]2C/C=C/[C@H](c3ccc([N+](=O)[O-])cc3)[C@H](CC(=O)O)C(=O)NC3(CCCCC3)C(=O)N[C@@H](CC(N)=O)C(=O)NC2)c1

Basic Information

ChEMBL ID CHEMBL363597
Phase Preclinical
Structure Type MOL
InChI Key FWCDFTKTRAVEGX-YUAXJFSXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

700.8
MW (Da)
3.60
ALogP
8
HBA
5
HBD
215.8
PSA (Ų)
0.13
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C37H44N6O8
MW 700.79
Aromatic Rings 3
Heavy Atoms 51
NP-Likeness -0.10

Literature References

PubMed DOI Target Context # Activities
15943469 10.1021/jm050059m Growth factor receptor-bound protein 2 1

Data from ChEMBL 36 via Core Engine