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Compound Detail

CHEMBL140053

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O=C(Nc1ccccn1)NC1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL140053
Phase Preclinical
Structure Type MOL
InChI Key OXPBPFDDWFFDNE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

219.3
MW (Da)
2.54
ALogP
2
HBA
2
HBD
54.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H17N3O
MW 219.29
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -1.75

Literature References

PubMed DOI Target Context # Activities
11741479 10.1021/jm0103256 Unchecked 1

Data from ChEMBL 36 via Core Engine