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Compound Detail

CHEMBL1548455

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O=C(Oc1cccc(C(=S)N2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1548455
Phase Preclinical
Structure Type MOL
InChI Key AMIVWHGPYKDMKY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

417.4
MW (Da)
2.73
ALogP
8
HBA
0
HBD
125.0
PSA (Ų)
0.24
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15N3O7S
MW 417.40
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.66

Data from ChEMBL 36 via Core Engine