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Compound Detail

CHEMBL156800

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Cl.NCCCCNC(=O)Nc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL156800
Phase Preclinical
Structure Type MOL
InChI Key UGCVWAMLALTQAF-UHFFFAOYSA-N
Parent Compound CHEMBL1181132
Active Moiety CHEMBL1181132
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

207.3
MW (Da)
1.55
ALogP
2
HBA
3
HBD
67.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H18ClN3O
MW 243.74
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -1.34

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