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Compound Detail

CHEMBL420316

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CN1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL420316
Phase Preclinical
Structure Type MOL
InChI Key VLXSCTINYKDTKR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

324.9
MW (Da)
4.36
ALogP
2
HBA
0
HBD
16.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21ClN2
MW 324.86
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.41

Literature References

PubMed DOI Target Context # Activities
9934454 10.1016/s0960-894x(98)00626-x Homo sapiens 1
25318072 10.1021/jm501086v Sodium-dependent neutral amino acid transporter B(0)AT2 1

Data from ChEMBL 36 via Core Engine