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Compound Detail

CHEMBL1191324

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C[S+]([O-])c1ccccc1NCC1=NCCN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1191324
Phase Preclinical
Structure Type MOL
InChI Key ISEQCXURNCTUCR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

237.3
MW (Da)
0.84
ALogP
4
HBA
2
HBD
59.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H15N3OS
MW 237.33
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.52

Data from ChEMBL 36 via Core Engine