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Compound Detail

CHEMBL4754948

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CC(C)(C)OC(=O)N1CCC(n2cc(/C(=C(/CCCO)c3ccccc3)c3ccc(O)cc3)cn2)CC1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4754948
Phase Preclinical
Structure Type MOL
InChI Key RHSBVUKKFSONLG-LXCLTORNSA-N
Parent Compound CHEMBL4802890
Active Moiety CHEMBL4802890
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

503.6
MW (Da)
5.89
ALogP
6
HBA
2
HBD
87.8
PSA (Ų)
0.39
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H38ClN3O4
MW 540.10
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -0.48

Literature References

PubMed DOI Target Context # Activities
27805390 10.1021/acs.jmedchem.6b01204 Estrogen-related receptor gamma 2

Data from ChEMBL 36 via Core Engine