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Compound Detail

CHEMBL5284465

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

Basic Information

ChEMBL ID CHEMBL5284465
Phase Preclinical
Structure Type MOL
InChI Key FOGVTJGWPRUHSR-AHJCBHEUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

486.7
MW (Da)
6.00
ALogP
4
HBA
2
HBD
83.8
PSA (Ų)
0.37
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H46O5
MW 486.69
Aromatic Rings 0
Heavy Atoms 35
NP-Likeness 3.25

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