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Compound Detail

CHEMBL433352

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CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]c(I)c(c34)C[C@H]2N(C)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL433352
Phase Preclinical
Structure Type MOL
InChI Key OBCUQRYIGTWROI-SJKOYZFVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

449.3
MW (Da)
3.51
ALogP
2
HBA
1
HBD
39.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H24IN3O
MW 449.34
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.33

Literature References

PubMed DOI Target Context # Activities
12825922 10.1021/jm030030n 5-hydroxytryptamine receptor 5A 1

Data from ChEMBL 36 via Core Engine