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Compound Detail

CHEMBL1801973

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CN[C@H]1CC[C@@]2(C)C(=C[C@@H](O)[C@H]3[C@@H]4CC[C@@H]5[C@H](C)OC(=O)[C@@]54CC[C@@H]32)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1801973
Phase Preclinical
Structure Type MOL
InChI Key PSCHPNOCVHDNMF-RZOBYWFHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

359.5
MW (Da)
3.05
ALogP
4
HBA
2
HBD
58.6
PSA (Ų)
0.56
QED
0
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 C22H33NO3
MW 359.51
Aromatic Rings 0
Heavy Atoms 26
NP-Likeness 3.04

Literature References

PubMed DOI Target Context # Activities
21443172 10.1021/np200165t KB 1

Data from ChEMBL 36 via Core Engine