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Compound Detail

CHEMBL1181599

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O=S(=O)(c1ccccc1)c1ccc(N2CCNCC2)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1181599
Phase Preclinical
Structure Type MOL
InChI Key PJCRJVPZJMTMTB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

352.5
MW (Da)
3.08
ALogP
4
HBA
1
HBD
49.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20N2O2S
MW 352.46
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.18

Data from ChEMBL 36 via Core Engine