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Compound Detail

CHEMBL4301738

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CCc1ccc2c(c1)S/C(=c1/s/c(=C\c3scc[n+]3Cc3c(Cl)cccc3Cl)n(CC)c1=O)N2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4301738
Phase Preclinical
Structure Type MOL
InChI Key NAZFZCDIOHEJSN-SHHOIMCASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

561.6
MW (Da)
5.33
ALogP
6
HBA
0
HBD
29.1
PSA (Ų)
0.31
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 C26H24Cl2N3OS3+
MW 561.61
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.03

Data from ChEMBL 36 via Core Engine