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Compound Detail

CHEMBL127538

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CCOC(=O)/C(=C\c1cccc(OCC(=O)OC(C)(C)C)c1)c1nc(-c2ccccc2)c(-c2ccccc2)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL127538
Phase Preclinical
Structure Type MOL
InChI Key NDGZITPBQNXTSV-QOMWVZHYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

525.6
MW (Da)
6.83
ALogP
7
HBA
0
HBD
87.9
PSA (Ų)
0.17
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H31NO6
MW 525.60
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -0.58

Literature References

PubMed DOI Target Context # Activities
8254619 10.1021/jm00076a017 Homo sapiens 1

Data from ChEMBL 36 via Core Engine