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Compound Detail

CHEMBL5206875

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CCNC(=O)c1noc(-c2cc(-c3ccccc3C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5206875
Phase Preclinical
Structure Type MOL
InChI Key CMLQZUBBNNDUAG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

513.6
MW (Da)
4.98
ALogP
7
HBA
3
HBD
108.1
PSA (Ų)
0.32
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H31N3O5
MW 513.59
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -0.78

Literature References

PubMed DOI Target Context # Activities
35298171 10.1021/acs.jmedchem.1c01991 Candida albicans 6
35298171 10.1021/acs.jmedchem.1c01991 Unchecked 1
35298171 10.1021/acs.jmedchem.1c01991 Heat shock protein HSP90 1

Data from ChEMBL 36 via Core Engine