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Compound Detail

CHEMBL2429881

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C[C@@H]1O[C@@]12[C@@H]1O[C@@H]3C[C@H]2[C@@]2(C)CC[C@H]4[C@@H](CC[C@@H]5C[C@@H](O)CC[C@@]54C)[C@@]32O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2429881
Phase Preclinical
Structure Type MOL
InChI Key PIAIPQKSLMXABP-PRMJRJGLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

374.5
MW (Da)
3.65
ALogP
4
HBA
1
HBD
51.2
PSA (Ų)
0.66
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 C23H34O4
MW 374.52
Aromatic Rings 0
Heavy Atoms 27
NP-Likeness 3.37

Literature References

PubMed DOI Target Context # Activities
24050254 10.1021/np400174f ADMET 1
24050254 10.1021/np400174f A549 1
24050254 10.1021/np400174f HepG2 1

Data from ChEMBL 36 via Core Engine