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Compound Detail

CHEMBL315826

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CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](CCc2ccccc2)NC(=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 CHEMBL315826
Phase Preclinical
Structure Type MOL
InChI Key UJZKGMDGARTVDL-IJYJNQDQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

618.8
MW (Da)
4.85
ALogP
7
HBA
2
HBD
123.3
PSA (Ų)
0.32
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 C36H46N2O7
MW 618.77
Aromatic Rings 2
Heavy Atoms 45
NP-Likeness 1.74

Literature References

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

Data from ChEMBL 36 via Core Engine