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Compound Detail

CHEMBL346232

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Cl.NCCCCNC(=O)c1ccc([N+](=O)[O-])cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL346232
Phase Preclinical
Structure Type MOL
InChI Key QWBOHEQUCLPMON-UHFFFAOYSA-N
Parent Compound CHEMBL1626816
Active Moiety CHEMBL1626816
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

237.3
MW (Da)
1.06
ALogP
4
HBA
2
HBD
98.3
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H16ClN3O3
MW 273.72
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -1.18

Literature References

PubMed DOI Target Context # Activities
9871574 10.1016/s0960-894x(98)00086-9 L1210 2
9871574 10.1016/s0960-894x(98)00086-9 Amine oxidase [copper-containing] 3 1

Data from ChEMBL 36 via Core Engine