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Compound Detail

CHEMBL4215072

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COC(=O)C1=C[C@]2(C)[C@H]3CC=C4[C@@H]5CC(C)(C)CC[C@]5(C(=O)OC)CC[C@@]4(C)[C@]3(C)CC[C@H]2C(C)(C)C1=O

Basic Information

ChEMBL ID CHEMBL4215072
Phase Preclinical
Structure Type MOL
InChI Key QFOZNLVIELMDMK-FPFQSWSYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

524.7
MW (Da)
6.85
ALogP
5
HBA
0
HBD
69.7
PSA (Ų)
0.22
QED
2
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H48O5
MW 524.74
Aromatic Rings 0
Heavy Atoms 38
NP-Likeness 2.59

Literature References

PubMed DOI Target Context # Activities
28753294 10.1021/acs.jnatprod.7b00271 Unchecked 1
28753294 10.1021/acs.jnatprod.7b00271 Signal transducer and activator of transcription 3 1
28753294 10.1021/acs.jnatprod.7b00271 Nuclear factor erythroid 2-related factor 2 1

Data from ChEMBL 36 via Core Engine