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Compound Detail

CHEMBL467895

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CCCCCCN1/C(=C/C=C/c2sc3ccccc3[n+]2CCCCCC)Sc2ccccc21.[I-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL467895
Phase Preclinical
Structure Type MOL
InChI Key NTVGGYAQVRBHAB-UHFFFAOYSA-M
Parent Compound CHEMBL1186512
Active Moiety CHEMBL1186512
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

477.8
MW (Da)
8.82
ALogP
3
HBA
0
HBD
7.1
PSA (Ų)
0.19
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H37IN2S2
MW 604.67
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.75

Literature References

PubMed DOI Target Context # Activities
19432420 10.1021/jm900116d Unchecked 2

Data from ChEMBL 36 via Core Engine