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Compound Detail

CHEMBL329832

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CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](c2ccc(O)cc2)NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL329832
Phase Preclinical
Structure Type MOL
InChI Key WEYJVNLLCFJSQP-YCDLTVFZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

590.7
MW (Da)
4.87
ALogP
7
HBA
3
HBD
131.0
PSA (Ų)
0.41
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H42N2O7
MW 590.72
Aromatic Rings 2
Heavy Atoms 43
NP-Likeness 1.61

Literature References

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

Data from ChEMBL 36 via Core Engine