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Compound Detail

CHEMBL275010

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CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(NC(=O)OCC3c4ccccc4-c4ccccc43)cc2)NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL275010
Phase Preclinical
Structure Type MOL
InChI Key JJOHWRNXABYLFU-RCAZQFSCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

826.0
MW (Da)
8.40
ALogP
8
HBA
3
HBD
149.1
PSA (Ų)
0.11
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C50H55N3O8
MW 826.00
Aromatic Rings 4
Heavy Atoms 61
NP-Likeness 0.95

Literature References

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

Data from ChEMBL 36 via Core Engine