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Compound Detail

CHEMBL277900

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O=c1ccn(C2CCC(CO)O2)c(=O)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL277900
Phase Preclinical
Structure Type MOL
InChI Key BTOTXLJHDSNXMW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

212.2
MW (Da)
-0.79
ALogP
5
HBA
2
HBD
84.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H12N2O4
MW 212.21
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 1.00

Literature References

PubMed DOI Target Context # Activities
3497272 10.1021/jm00391a003 MT4 6
3497272 10.1021/jm00391a003 ATH-8 cell line 2
2342078 10.1021/jm00168a046 MT4 2
8145230 10.1021/jm00032a013 CCRF-CEM 2
1351945 10.1021/jm00090a008 No relevant target 1
2342078 10.1021/jm00168a046 Human immunodeficiency virus 1 1
8145230 10.1021/jm00032a013 MT2 1
8145230 10.1021/jm00032a013 Hepatoma cell line 1

Data from ChEMBL 36 via Core Engine