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Compound Detail

CHEMBL3580945

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CC[C@H]1C[C@@H]2C[C@@]3(C(=O)OC)c4[nH]c5ccccc5c4CCN(C2CC(C)=O)[C@@H]13
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3580945
Phase Preclinical
Structure Type MOL
InChI Key UMPABASQXRRHQB-NLGDVHPJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

394.5
MW (Da)
3.60
ALogP
4
HBA
1
HBD
62.4
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C24H30N2O3
MW 394.52
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 1.58

Literature References

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

Data from ChEMBL 36 via Core Engine