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Compound Detail

CHEMBL5285344

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CNC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5285344
Phase Preclinical
Structure Type MOL
InChI Key RZBOBTFUAHCNTA-USOYLUNWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

501.8
MW (Da)
4.84
ALogP
4
HBA
4
HBD
89.8
PSA (Ų)
0.41
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H51NO4
MW 501.75
Aromatic Rings 0
Heavy Atoms 36
NP-Likeness 2.89

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