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Compound Detail

CHEMBL1188881

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NCc1ccncc1NC1CCCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1188881
Phase Preclinical
Structure Type MOL
InChI Key AVFUTMHSYXKZLL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

219.3
MW (Da)
2.68
ALogP
3
HBA
2
HBD
50.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H21N3
MW 219.33
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.74

Data from ChEMBL 36 via Core Engine