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Compound Detail

CHEMBL1189367

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NS(=O)(=O)c1ccc(CC/N=C(\S)NNCCN2CCOCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1189367
Phase Preclinical
Structure Type MOL
InChI Key MRKMLHNHDCYAOC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

387.5
MW (Da)
-0.41
ALogP
6
HBA
4
HBD
109.0
PSA (Ų)
0.16
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H25N5O3S2
MW 387.53
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -1.54

Data from ChEMBL 36 via Core Engine