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Compound Detail

CHEMBL465682

BUDDLEDIN C
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C=C1CC/C=C(\C)C(=O)C[C@@H]2[C@@H]1CC2(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL465682
Name BUDDLEDIN C
Phase Preclinical
Structure Type MOL
InChI Key KXSUIPOSVGSLQP-PGJRDNSLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

218.3
MW (Da)
3.90
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.56
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H22O
MW 218.34
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness 3.25

Literature References

PubMed DOI Target Context # Activities
10514305 10.1021/np990092+ Unchecked 2
10514305 10.1021/np990092+ Polyunsaturated fatty acid 5-lipoxygenase 2
12088433 10.1021/np010586i P388 1
12088433 10.1021/np010586i A549 1
12088433 10.1021/np010586i HT-29 1

Data from ChEMBL 36 via Core Engine