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Compound Detail

CHEMBL520528

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CC(C)(C)OC(=O)NCCNc1c([N+](=O)[O-])cc2c3c(cccc13)C(=O)N(CCNC(=O)OC(C)(C)C)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL520528
Phase Preclinical
Structure Type MOL
InChI Key YMUAUKYIRVIPKI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

543.6
MW (Da)
3.81
ALogP
9
HBA
3
HBD
169.2
PSA (Ų)
0.19
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 C26H33N5O8
MW 543.58
Aromatic Rings 2
Heavy Atoms 39
NP-Likeness -0.98

Literature References

PubMed DOI Target Context # Activities
18774722 10.1016/j.bmc.2008.08.027 DNA 1
18774722 10.1016/j.bmc.2008.08.027 HT-29 1

Data from ChEMBL 36 via Core Engine