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Compound Detail

CHEMBL5279635

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CC1(C)CC[C@]2(C(N)=O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5279635
Phase Preclinical
Structure Type MOL
InChI Key DWGFHMIJIQNZIC-DDHMHSPCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

487.7
MW (Da)
4.58
ALogP
4
HBA
4
HBD
103.8
PSA (Ų)
0.43
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H49NO4
MW 487.73
Aromatic Rings 0
Heavy Atoms 35
NP-Likeness 3.02

Literature References

PubMed DOI Target Context # Activities
36846362 10.1039/d2md00275b PANC-1 1
36846362 10.1039/d2md00275b HT-29 1

Data from ChEMBL 36 via Core Engine