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Compound Detail

CHEMBL4209162

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CC1(C)CC[C@]2(C(=O)O)CC=C3[C@]4(C)CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4209162
Phase Preclinical
Structure Type MOL
InChI Key RJPTYANCUZSYFG-LERFIFKESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

454.7
MW (Da)
7.44
ALogP
2
HBA
1
HBD
54.4
PSA (Ų)
0.42
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C30H46O3
MW 454.70
Aromatic Rings 0
Heavy Atoms 33
NP-Likeness 2.97

Literature References

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

Data from ChEMBL 36 via Core Engine