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Compound Detail

CHEMBL4863722

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CCCCc1[nH]c(=O)c(C(=O)NCC)c(O)c1-c1c(OC)cccc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4863722
Phase Preclinical
Structure Type MOL
InChI Key NAWIBBOIHLVUGN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

374.4
MW (Da)
2.86
ALogP
5
HBA
3
HBD
100.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H26N2O5
MW 374.44
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.11

Literature References

PubMed DOI Target Context # Activities
34795866 10.1021/acsmedchemlett.1c00385 Apelin receptor 2

Data from ChEMBL 36 via Core Engine