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Compound Detail

CHEMBL2206430

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CC1=C2CC[C@@](C)(O)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@@H]2CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2206430
Phase Preclinical
Structure Type MOL
InChI Key HHXFJHUFULMWRU-HZQNPPOTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

250.3
MW (Da)
2.44
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.53
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 C15H22O3
MW 250.34
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness 3.07

Literature References

PubMed DOI Target Context # Activities
22985027 10.1021/jm301064b NON-PROTEIN TARGET 5
22985027 10.1021/jm301064b HL-60 1
38526960 10.1021/acs.jmedchem.3c02453 Unchecked 1
38526960 10.1021/acs.jmedchem.3c02453 Neutrophil 1

Data from ChEMBL 36 via Core Engine