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Compound Detail

CHEMBL5401563

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CC1=C[C@H](CCOCCc2ccccc2)[C@]2(CO)C(=O)N[C@@H](Cc3ccccc3)[C@@H]2[C@@H]1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5401563
Phase Preclinical
Structure Type MOL
InChI Key KMMPHHKKKGFJSW-HETUCMFWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

433.6
MW (Da)
4.18
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.46
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H35NO3
MW 433.59
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness 1.22

Literature References

PubMed DOI Target Context # Activities
38283219 10.1039/d3md00535f Unchecked 3
38283219 10.1039/d3md00535f MRC5 1

Data from ChEMBL 36 via Core Engine