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Compound Detail

CHEMBL4207343

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CC(=O)O[C@H]1C[C@H](O)[C@]2(C)[C@H]3CC[C@]4(C)C(=CC[C@@]5(C(=O)O)CCC(C)(C)C[C@H]54)[C@]3(C)CC[C@H]2C1(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4207343
Phase Preclinical
Structure Type MOL
InChI Key NNOWAAKSHBABDB-YLMWWZRSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

514.8
MW (Da)
6.78
ALogP
4
HBA
2
HBD
83.8
PSA (Ų)
0.31
QED
2
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C32H50O5
MW 514.75
Aromatic Rings 0
Heavy Atoms 37
NP-Likeness 3.05

Literature References

PubMed DOI Target Context # Activities
30350995 10.1021/acs.jnatprod.8b00585 BV-2 2

Data from ChEMBL 36 via Core Engine