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Compound Detail

CHEMBL554652

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Cl.NCC1(CC(=O)O)CCNCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL554652
Phase Preclinical
Structure Type MOL
InChI Key MIOYADYYJWNYMQ-UHFFFAOYSA-N
Parent Compound CHEMBL1195479
Active Moiety CHEMBL1195479
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

172.2
MW (Da)
-0.21
ALogP
3
HBA
3
HBD
75.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H17ClN2O2
MW 208.69
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness 0.80

Literature References

PubMed DOI Target Context # Activities
9599234 10.1021/jm970649n Unchecked 1

Data from ChEMBL 36 via Core Engine