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Compound Detail

CHEMBL4302449

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CN1/C(=c2\s/c(=C\c3scc[n+]3Cc3ccccc3)n(C3CC3)c2=O)Sc2cc(Cl)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4302449
Phase Preclinical
Structure Type MOL
InChI Key NYHFNWJBJJAKJB-WJTDDFOZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

511.1
MW (Da)
4.43
ALogP
6
HBA
0
HBD
29.1
PSA (Ų)
0.38
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H21ClN3OS3+
MW 511.12
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.12

Data from ChEMBL 36 via Core Engine