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Compound Detail

CHEMBL1852104

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NC1=NC2(CCCCC2)N(OCCCOc2ccc(S(N)(=O)=O)cc2)C(N)=N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1852104
Phase Preclinical
Structure Type MOL
InChI Key VPHLJMYKWBVODY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

410.5
MW (Da)
0.64
ALogP
9
HBA
3
HBD
158.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H26N6O4S
MW 410.50
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness -0.55

Data from ChEMBL 36 via Core Engine