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Compound Detail

CHEMBL1178024

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Cc1nccn1-c1ccc(OCCNCC(O)COc2ccc(NS(C)(=O)=O)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178024
Phase Preclinical
Structure Type MOL
InChI Key NLVFVPIEOROZTP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

460.6
MW (Da)
1.96
ALogP
8
HBA
3
HBD
114.7
PSA (Ų)
0.35
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H28N4O5S
MW 460.56
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.40

Data from ChEMBL 36 via Core Engine