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Compound Detail

CHEMBL1180019

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CS(=O)(=O)Nc1cc(C[n+]2ccccc2)cc(Nc2c3ccccc3nc3ccccc23)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1180019
Phase Preclinical
Structure Type MOL
InChI Key WDMNVEQVXDUFIS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

455.6
MW (Da)
4.84
ALogP
4
HBA
2
HBD
75.0
PSA (Ų)
0.28
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H23N4O2S+
MW 455.56
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -0.88

Data from ChEMBL 36 via Core Engine