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Compound Detail

CHEMBL1976572

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CO[C@@H]1C=C[C@@]23c4cc5c(cc4C(=O)O[C@H]2CN(C)[C@H]3C1)OCO5
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1976572
Phase Preclinical
Structure Type MOL
InChI Key YEISBJOTHHFANE-NJVUAGGXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
1.48
ALogP
6
HBA
0
HBD
57.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H19NO5
MW 329.35
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 2.34

Literature References

PubMed DOI Target Context # Activities
23190013 10.1021/np3005425 HT-29 1
23190013 10.1021/np3005425 HepG2 1
23190013 10.1021/np3005425 A549 1
23190013 10.1021/np3005425 K562 1
23190013 10.1021/np3005425 HL-60 1

Data from ChEMBL 36 via Core Engine