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Compound Detail

CHEMBL1091238

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O=c1c2ccc(NCCO)cc2n2ccnc2n1-c1cccc(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1091238
Phase Preclinical
Structure Type MOL
InChI Key SQJTYVYRMRVUDQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

354.8
MW (Da)
2.70
ALogP
6
HBA
2
HBD
71.6
PSA (Ų)
0.59
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 C18H15ClN4O2
MW 354.80
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.67

Literature References

PubMed DOI Target Context # Activities
20363140 10.1016/j.bmc.2010.03.024 Hepatitis C virus 3
20363140 10.1016/j.bmc.2010.03.024 Unchecked 1
20363140 10.1016/j.bmc.2010.03.024 ADMET 1

Data from ChEMBL 36 via Core Engine