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Compound Detail

CHEMBL3580936

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COC(=O)[C@@]12C[C@H]3C[C@H]([C@H](C)O)[C@@H]1N(Cc1c2n(C=O)c2ccccc12)C3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3580936
Phase Preclinical
Structure Type MOL
InChI Key JNBKCJKJWFSXPU-UAZCWPKFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

368.4
MW (Da)
1.70
ALogP
6
HBA
1
HBD
71.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H24N2O4
MW 368.43
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 1.33

Literature References

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

Data from ChEMBL 36 via Core Engine