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Compound Detail

CHEMBL4064111

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

Basic Information

ChEMBL ID CHEMBL4064111
Phase Preclinical
Structure Type MOL
InChI Key ILTQYWVUOPDTOL-DBWGAYEVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

470.7
MW (Da)
6.41
ALogP
3
HBA
2
HBD
74.6
PSA (Ų)
0.46
QED
1
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 C30H46O4
MW 470.69
Aromatic Rings 0
Heavy Atoms 34
NP-Likeness 3.23

Literature References

PubMed DOI Target Context # Activities
32299661 10.1016/j.bmc.2020.115465 RAW264.7 2
28729056 10.1016/j.bmcl.2017.07.028 L02 1
30350996 10.1021/acs.jnatprod.8b00514 Hypoxia-inducible factor prolyl hydroxylase 1

Data from ChEMBL 36 via Core Engine