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Compound Detail

CHEMBL86769

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CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2cccc3ccccc23)NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL86769
Phase Preclinical
Structure Type MOL
InChI Key ZKUWDWDAOXFOJY-QHAMNJJOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

638.8
MW (Da)
6.19
ALogP
6
HBA
2
HBD
110.8
PSA (Ų)
0.30
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H46N2O6
MW 638.81
Aromatic Rings 3
Heavy Atoms 47
NP-Likeness 1.45

Literature References

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

Data from ChEMBL 36 via Core Engine