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Compound Detail

CHEMBL440916

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Cl.Cl.NCCCCNC(=O)[C@@H](N)Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL440916
Phase Preclinical
Structure Type MOL
InChI Key ZXSJSDFLRLIMPF-LTCKWSDVSA-N
Parent Compound CHEMBL1185908
Active Moiety CHEMBL1185908
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

235.3
MW (Da)
0.41
ALogP
3
HBA
3
HBD
81.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H23Cl2N3O
MW 308.25
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.01

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