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Compound Detail

CHEMBL156805

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Cl.NCCCCNC(=O)NCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL156805
Phase Preclinical
Structure Type MOL
InChI Key FOEWKXXAIULRTI-UHFFFAOYSA-N
Parent Compound CHEMBL1181133
Active Moiety CHEMBL1181133
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

221.3
MW (Da)
1.22
ALogP
2
HBA
3
HBD
67.2
PSA (Ų)
0.63
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 C12H20ClN3O
MW 257.76
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -1.01

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