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Compound Detail

CHEMBL3357026

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CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3ccc(CO)nc32)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3357026
Phase Preclinical
Structure Type MOL
InChI Key XTEULJRKHVVHLA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

412.9
MW (Da)
4.38
ALogP
4
HBA
1
HBD
62.7
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25ClN2O3
MW 412.92
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.44

Literature References

PubMed DOI Target Context # Activities
25318072 10.1021/jm501086v Sodium-dependent neutral amino acid transporter B(0)AT2 1

Data from ChEMBL 36 via Core Engine