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Compound Detail

CHEMBL3580943

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COC(=O)[C@]12C[C@@H]3CN(CCc4c1[nH]c1ccccc41)[C@H]2[C@@H]([C@H](C)O)C3O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3580943
Phase Preclinical
Structure Type MOL
InChI Key GMZWRBLKDDEMTL-TYWGCKMESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

370.4
MW (Da)
1.20
ALogP
5
HBA
3
HBD
85.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H26N2O4
MW 370.45
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 1.43

Literature References

PubMed DOI Target Context # Activities
26024020 10.1021/acs.jnatprod.5b00051 RAW264.7 1

Data from ChEMBL 36 via Core Engine