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Compound Detail

CHEMBL1180945

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Nc1ccc(-c2cc(-c3ccc(N4CCOCC4)cc3)cc(-c3ccc(N4CCOCC4)cc3)[s+]2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1180945
Phase Preclinical
Structure Type MOL
InChI Key PPQZSANXKNWEAE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

510.7
MW (Da)
6.29
ALogP
5
HBA
1
HBD
51.0
PSA (Ų)
0.25
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 C31H32N3O2S+
MW 510.68
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -0.51

Data from ChEMBL 36 via Core Engine