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Compound Detail

CHEMBL1183258

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CCN1CCS/C1=C\C=c1/s/c(=C\c2sc3c4ccccc4ccc3[n+]2CCO)n(CC)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1183258
Phase Preclinical
Structure Type MOL
InChI Key FTXGCIHWFSLQPW-IINORCHSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

510.7
MW (Da)
3.10
ALogP
7
HBA
1
HBD
49.4
PSA (Ų)
0.41
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H28N3O2S3+
MW 510.73
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.56

Data from ChEMBL 36 via Core Engine