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Compound Detail

CHEMBL1179961

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CCN1/C(=C/C=C(Cl)/C=C/c2sc3ccc4ccccc4c3[n+]2CC)Sc2ccc3ccccc3c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1179961
Phase Preclinical
Structure Type MOL
InChI Key HGCHIPXGBFYAJU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

526.1
MW (Da)
9.12
ALogP
3
HBA
0
HBD
7.1
PSA (Ų)
0.17
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 C31H26ClN2S2+
MW 526.15
Aromatic Rings 5
Heavy Atoms 36
NP-Likeness -0.42

Data from ChEMBL 36 via Core Engine