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Compound Detail

CHEMBL312559

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C[C@@H]1C[C@H]2O[C@@H]2/C=C\C=C\C(=N/OCC(=O)N2CCC(O)CC2)Cc2c(Cl)c(O)cc(O)c2C(=O)O1

Basic Information

ChEMBL ID CHEMBL312559
Phase Preclinical
Structure Type MOL
InChI Key GMGOOYNZGZEVLA-SCTVBEECSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

521.0
MW (Da)
2.48
ALogP
9
HBA
3
HBD
141.4
PSA (Ų)
0.31
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H29ClN2O8
MW 520.97
Aromatic Rings 1
Heavy Atoms 36
NP-Likeness 1.02

Literature References

PubMed DOI Target Context # Activities
12773056 10.1021/jm030110r NON-PROTEIN TARGET 2
12773056 10.1021/jm030110r 3Y1 cell line 1
12773056 10.1021/jm030110r NRK 1
12773056 10.1021/jm030110r Proto-oncogene tyrosine-protein kinase Src 1

Data from ChEMBL 36 via Core Engine