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Compound Detail

CHEMBL51792

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CCOC(=O)c1oc2cccc(OCCCNc3ccccc3)c2c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL51792
Phase Preclinical
Structure Type MOL
InChI Key WHEPMYMMMOQAMR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

353.4
MW (Da)
4.80
ALogP
5
HBA
1
HBD
60.7
PSA (Ų)
0.47
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23NO4
MW 353.42
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.84

Literature References

PubMed DOI Target Context # Activities
11459642 10.1016/s0960-894x(01)00319-5 Peptide N-myristoyltransferase 2
11459642 10.1016/s0960-894x(01)00319-5 Candida albicans 1

Data from ChEMBL 36 via Core Engine