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Compound Detail

CHEMBL4473530

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C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4473530
Phase Preclinical
Structure Type MOL
InChI Key YJEJKUQEXFSVCJ-GRABMBFZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

584.8
MW (Da)
8.14
ALogP
4
HBA
2
HBD
100.9
PSA (Ų)
0.24
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C36H56O6
MW 584.84
Aromatic Rings 0
Heavy Atoms 42
NP-Likeness 2.69

Literature References

PubMed DOI Target Context # Activities
30350996 10.1021/acs.jnatprod.8b00514 Hypoxia-inducible factor prolyl hydroxylase 1

Data from ChEMBL 36 via Core Engine