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Compound Detail

CHEMBL402505

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CC[C@]1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2/C=N/OC(C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL402505
Phase Preclinical
Structure Type MOL
InChI Key DKLMPQGUJVSLHD-SWTSJZMESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

461.5
MW (Da)
3.62
ALogP
8
HBA
1
HBD
103.0
PSA (Ų)
0.28
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H27N3O5
MW 461.52
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness 0.78

Literature References

PubMed DOI Target Context # Activities
18424133 10.1016/j.bmcl.2008.03.074 NCI-H460 1

Data from ChEMBL 36 via Core Engine