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Compound Detail

CHEMBL1940438

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Oc1ccnc2c(Cl)c3[nH]nnc3cc12

Basic Information

ChEMBL ID CHEMBL1940438
Phase Preclinical
Structure Type MOL
InChI Key RVLBWLSHOMMTMN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
13
Publications
0
Known Names

Molecular Properties

220.6
MW (Da)
1.87
ALogP
4
HBA
2
HBD
74.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H5ClN4O
MW 220.62
Aromatic Rings 3
Heavy Atoms 15
NP-Likeness -0.64

Literature References

PubMed DOI Target Context # Activities
22047799 10.1016/j.bmc.2011.10.009 NON-PROTEIN TARGET 2
22047799 10.1016/j.bmc.2011.10.009 MT4 1
22047799 10.1016/j.bmc.2011.10.009 Human immunodeficiency virus 1 1
22047799 10.1016/j.bmc.2011.10.009 ADMET 1
22047799 10.1016/j.bmc.2011.10.009 BHK-21 1
22047799 10.1016/j.bmc.2011.10.009 Yellow fever virus 1
22047799 10.1016/j.bmc.2011.10.009 Reovirus sp. 1
22047799 10.1016/j.bmc.2011.10.009 Vero 1
22047799 10.1016/j.bmc.2011.10.009 Coxsackievirus B5 1
22047799 10.1016/j.bmc.2011.10.009 Poliovirus 1 1
22047799 10.1016/j.bmc.2011.10.009 Human orthopneumovirus 1
22047799 10.1016/j.bmc.2011.10.009 Vesicular stomatitis Indiana virus 1
22047799 10.1016/j.bmc.2011.10.009 Human alphaherpesvirus 1 1

Data from ChEMBL 36 via Core Engine