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Compound Detail

CHEMBL1773220

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Cl.O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCN1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1773220
Phase Preclinical
Structure Type MOL
InChI Key HOXXQYIEHRYRQT-UHFFFAOYSA-N
Parent Compound CHEMBL230100
Active Moiety CHEMBL230100
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

374.4
MW (Da)
2.94
ALogP
5
HBA
0
HBD
51.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23ClN2O3
MW 410.90
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.49

Literature References

PubMed DOI Target Context # Activities
24900212 10.1021/ml100062z Nucleic Acid 8
24900212 10.1021/ml100062z NON-PROTEIN TARGET 1
24900212 10.1021/ml100062z HT-29 1

Data from ChEMBL 36 via Core Engine