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Compound Detail

CHEMBL1731146

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CCCCCCSc1cc(-c2nc3cnccn3c2NCCCC)ccc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1731146
Phase Preclinical
Structure Type MOL
InChI Key FSFSKAMHJFQQHQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

412.6
MW (Da)
6.29
ALogP
6
HBA
1
HBD
51.5
PSA (Ų)
0.28
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H32N4OS
MW 412.60
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.41

Data from ChEMBL 36 via Core Engine