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Compound Detail

CHEMBL1195368

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CCCS(=O)(=O)c1ccccc1NCC1=NCCN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1195368
Phase Preclinical
Structure Type MOL
InChI Key DURATMICCIEKQS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

281.4
MW (Da)
1.28
ALogP
5
HBA
2
HBD
70.6
PSA (Ų)
0.82
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 C13H19N3O2S
MW 281.38
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -1.42

Data from ChEMBL 36 via Core Engine