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Compound Detail

CHEMBL5401518

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COC(=O)[C@@]12C(=O)N[C@@H](Cc3ccccc3)[C@@H]1[C@H](C)[C@@](C)(Cl)[C@H](O)[C@@H]2CCOCCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5401518
Phase Preclinical
Structure Type MOL
InChI Key PBDACOAGABZCNW-WANSSFKISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

514.1
MW (Da)
3.78
ALogP
5
HBA
2
HBD
84.9
PSA (Ų)
0.23
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H36ClNO5
MW 514.06
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness 0.92

Literature References

PubMed DOI Target Context # Activities
38283219 10.1039/d3md00535f Unchecked 2
38283219 10.1039/d3md00535f MRC5 1

Data from ChEMBL 36 via Core Engine