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Compound Detail

CHEMBL3357038

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O=C(Oc1ccccc1)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3357038
Phase Preclinical
Structure Type MOL
InChI Key DMMQCXMHHCHCSB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

430.9
MW (Da)
5.93
ALogP
3
HBA
0
HBD
42.4
PSA (Ų)
0.48
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H23ClN2O2
MW 430.94
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.63

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