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Compound Detail

CHEMBL1193049

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NC(CCCCCCc1nnn[nH]1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1193049
Phase Preclinical
Structure Type MOL
InChI Key IPFSCFUZRWPQSG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

227.3
MW (Da)
0.10
ALogP
5
HBA
3
HBD
117.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H17N5O2
MW 227.27
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.44

Data from ChEMBL 36 via Core Engine