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Compound Detail

CHEMBL1186546

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CCN1/C(=C/C(C)=C/c2sc3c4ccccc4ccc3[n+]2CC)Sc2c1ccc1ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1186546
Phase Preclinical
Structure Type MOL
InChI Key PYJBVFZGXAUCRH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

479.7
MW (Da)
8.39
ALogP
3
HBA
0
HBD
7.1
PSA (Ų)
0.24
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H27N2S2+
MW 479.69
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -0.42

Data from ChEMBL 36 via Core Engine