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Compound Detail

CHEMBL1770211

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C[N+]1(CC(=O)Nc2ccc3c(c2)C(=O)c2cccc4ccnc-3c24)CCCC1.[I-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1770211
Phase Preclinical
Structure Type MOL
InChI Key UHDCAGDSNSRZCM-UHFFFAOYSA-N
Parent Compound CHEMBL429660
Active Moiety CHEMBL429660
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

372.4
MW (Da)
3.63
ALogP
3
HBA
1
HBD
59.1
PSA (Ų)
0.56
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 C23H22IN3O2
MW 499.35
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.21

Literature References

PubMed DOI Target Context # Activities
21367493 10.1016/j.ejmech.2011.02.005 Unchecked 1
21367493 10.1016/j.ejmech.2011.02.005 SH-SY5Y 1

Data from ChEMBL 36 via Core Engine