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Compound Detail

CHEMBL86606

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CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)CNC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL86606
Phase Preclinical
Structure Type MOL
InChI Key PQLIVXNQSIYFIZ-GVRKKVCYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

514.6
MW (Da)
2.85
ALogP
7
HBA
2
HBD
123.3
PSA (Ų)
0.46
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H38N2O7
MW 514.62
Aromatic Rings 1
Heavy Atoms 37
NP-Likeness 2.04

Literature References

PubMed DOI Target Context # Activities
10411479 10.1021/jm980706s CCRF-CEM 1

Data from ChEMBL 36 via Core Engine