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Compound Detail

CHEMBL1179980

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CCN1/C(=C/C=c2\s/c(=C\c3sc4ccccc4[n+]3CC)n(-c3ccccc3)c2=O)Sc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1179980
Phase Preclinical
Structure Type MOL
InChI Key YZFNLTSQBUXCJN-WCOOBMQKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

540.8
MW (Da)
5.50
ALogP
6
HBA
0
HBD
29.1
PSA (Ų)
0.28
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H26N3OS3+
MW 540.76
Aromatic Rings 5
Heavy Atoms 37
NP-Likeness -1.17

Data from ChEMBL 36 via Core Engine