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Compound Detail

CHEMBL98333

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CN(C)CCCN1C(=O)CSC1c1cccc([N+](=O)[O-])c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL98333
Phase Preclinical
Structure Type MOL
InChI Key JTGAQOPTLOQKIV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

309.4
MW (Da)
2.12
ALogP
5
HBA
0
HBD
66.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H19N3O3S
MW 309.39
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -1.60

Data from ChEMBL 36 via Core Engine