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Compound Detail

CHEMBL1995839

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Clc1cc2ncn(C3CCCO3)c2cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1995839
Phase Preclinical
Structure Type MOL
InChI Key RCXVWZMFRLJXRD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

257.1
MW (Da)
3.65
ALogP
3
HBA
0
HBD
27.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H10Cl2N2O
MW 257.12
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.65

Literature References

PubMed DOI Target Context # Activities
25082514 10.1016/j.bmc.2014.06.043 MT4 1
25082514 10.1016/j.bmc.2014.06.043 Human immunodeficiency virus 1 1
25082514 10.1016/j.bmc.2014.06.043 ADMET 1
25082514 10.1016/j.bmc.2014.06.043 Bovine viral diarrhea virus 1 1
25082514 10.1016/j.bmc.2014.06.043 NON-PROTEIN TARGET 1
25082514 10.1016/j.bmc.2014.06.043 Yellow fever virus 1
25082514 10.1016/j.bmc.2014.06.043 Reovirus sp. 1

Data from ChEMBL 36 via Core Engine