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Compound Detail

CHEMBL1182508

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c1ccc2c[n+](CCCCCc3cc(CCCCC[n+]4ccc5ccccc5c4)cc(CCCCC[n+]4ccc5ccccc5c4)c3)ccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1182508
Phase Preclinical
Structure Type MOL
InChI Key TYGGQOXANGOHKM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

673.0
MW (Da)
10.25
ALogP
0
HBA
0
HBD
11.6
PSA (Ų)
0.06
QED
2
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C48H54N3+3
MW 672.98
Aromatic Rings 7
Heavy Atoms 51
NP-Likeness 0.05

Data from ChEMBL 36 via Core Engine