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Compound Detail

CHEMBL3350615

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CCN(Cc1cccc(S(=O)(=O)O)c1)c1ccc(C(=C2C=CC(=[N+](CC)Cc3cccc(S(=O)(=O)O)c3)C=C2)c2ccccc2S(=O)(=O)[O-])cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3350615
Phase Preclinical
Structure Type MOL
InChI Key CTRXDTYTAAKVSM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

748.9
MW (Da)
5.71
ALogP
8
HBA
2
HBD
172.2
PSA (Ų)
0.14
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C37H36N2O9S3
MW 748.90
Aromatic Rings 4
Heavy Atoms 51
NP-Likeness -0.70

Data from ChEMBL 36 via Core Engine