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Compound Detail

CHEMBL4593818

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CC(=O)N[C@@H]1C/C=C\[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4593818
Phase Preclinical
Structure Type MOL
InChI Key WLTQCLHYMAGVLY-HVWSOPJSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

545.6
MW (Da)
-1.34
ALogP
7
HBA
7
HBD
186.0
PSA (Ų)
0.21
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H39N5O7
MW 545.64
Aromatic Rings 1
Heavy Atoms 39
NP-Likeness 0.79

Literature References

PubMed DOI Target Context # Activities
31658413 10.1021/acs.jmedchem.9b00798 Unchecked 4

Data from ChEMBL 36 via Core Engine