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Compound Detail

CHEMBL5412420

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COC(=O)[C@@]12CC[C@@]3(C)[C@]1(O)C(=O)C=C1[C@]4(O)CC[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]4(C)CC[C@@]13OO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5412420
Phase Preclinical
Structure Type MOL
InChI Key FEBNMPLYGFJDFV-XSIOWNRGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

502.6
MW (Da)
4.06
ALogP
7
HBA
2
HBD
102.3
PSA (Ų)
0.33
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H42O7
MW 502.65
Aromatic Rings 0
Heavy Atoms 36
NP-Likeness 2.64

Literature References

PubMed DOI Target Context # Activities
37676247 10.1021/acs.jnatprod.3c00089 A549 1
37676247 10.1021/acs.jnatprod.3c00089 HL-60 1
37676247 10.1021/acs.jnatprod.3c00089 HepG2 1
37676247 10.1021/acs.jnatprod.3c00089 SU-DHL-2 1
37676247 10.1021/acs.jnatprod.3c00089 Unchecked 1
37676247 10.1021/acs.jnatprod.3c00089 B-cell line 1

Data from ChEMBL 36 via Core Engine