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Compound Detail

CHEMBL1974558

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C[C@H]1CCC/C=C/[C@@H]2C[C@H](OC(=O)CN(C)C)C[C@H]2[C@H](O)/C=C/C(=O)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1974558
Phase Preclinical
Structure Type MOL
InChI Key ZZWKZQDOSJAGGF-VRSYWUPDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

365.5
MW (Da)
2.07
ALogP
6
HBA
1
HBD
76.1
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H31NO5
MW 365.47
Aromatic Rings 0
Heavy Atoms 26
NP-Likeness 1.91

Literature References

PubMed DOI Target Context # Activities
36089748 10.1021/acs.jmedchem.2c00532 HepG2 1
36089748 10.1021/acs.jmedchem.2c00532 Bel-7402 1

Data from ChEMBL 36 via Core Engine