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Compound Detail

CHEMBL5170766

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CC(C)(O)[C@H]1Cc2c(ccc3c2O/C(=C\c2cccc4cccnc24)C3=O)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5170766
Phase Preclinical
Structure Type MOL
InChI Key MEXWWPPGMKZFCA-ZYNFKGNASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

373.4
MW (Da)
3.93
ALogP
5
HBA
1
HBD
68.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H19NO4
MW 373.41
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness 0.58

Literature References

PubMed DOI Target Context # Activities
35671109 10.1021/acs.jnatprod.2c00345 HL-60 1
35671109 10.1021/acs.jnatprod.2c00345 SW480 1

Data from ChEMBL 36 via Core Engine