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Compound Detail

CHEMBL504569

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Cc1ccc([C@@H](C)CCCC(C)(C)O)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL504569
Phase Preclinical
Structure Type MOL
InChI Key TYUONEYWBLIYDF-LBPRGKRZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

236.3
MW (Da)
3.75
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H24O2
MW 236.35
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 1.18

Literature References

PubMed DOI Target Context # Activities
- 10.1021/np50053a042 Candida albicans 1
12762791 10.1021/np0204038 HL-60 1
12444675 10.1021/np020213x Mycobacterium tuberculosis 1

Data from ChEMBL 36 via Core Engine