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Compound Detail

CHEMBL1189459

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CNc1nc(NC)nc(NCCCNCCCCCCCCCCCCNCCCN)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1189459
Phase Preclinical
Structure Type MOL
InChI Key FQNQSHCUTKSTEP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

451.7
MW (Da)
3.19
ALogP
9
HBA
6
HBD
124.8
PSA (Ų)
0.14
QED
1
Ro5 Violations
23
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H49N9
MW 451.71
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness -0.23

Data from ChEMBL 36 via Core Engine