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Compound Detail

CHEMBL5414539

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CC(C)Oc1cc(Cl)ccc1CNc1cc(-c2cccc(OCCOCCOCCOCCNC(=O)c3ccc(-c4c5ccc(N(C)C)cc5[o+]c5cc(N(C)C)ccc45)c(C(=O)[O-])c3)c2)nc2ncnn12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5414539
Phase Preclinical
Structure Type MOL
InChI Key VWMXRMXILQAGBR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

997.5
MW (Da)
8.05
ALogP
15
HBA
2
HBD
188.3
PSA (Ų)
0.03
QED
3
Ro5 Violations
24
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C54H57ClN8O9
MW 997.55
Aromatic Rings 8
Heavy Atoms 72
NP-Likeness -1.12

Literature References

PubMed DOI Target Context # Activities
37907069 10.1021/acs.jmedchem.3c01707 G-protein coupled receptor 3 5

Data from ChEMBL 36 via Core Engine