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Compound Detail

CHEMBL39261

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c1ccc(-c2nnn[nH]2)cc1

Basic Information

ChEMBL ID CHEMBL39261
Phase Preclinical
Structure Type MOL
InChI Key MARUHZGHZWCEQU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

146.2
MW (Da)
0.87
ALogP
3
HBA
1
HBD
54.5
PSA (Ų)
0.65
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 C7H6N4
MW 146.15
Aromatic Rings 2
Heavy Atoms 11
NP-Likeness -2.10

Literature References

PubMed DOI Target Context # Activities
18835718 10.1016/j.bmc.2008.09.051 Exportin-1 4
10411471 10.1021/jm990073x Serine/threonine-protein kinase mTOR 1
6094808 10.1021/jm00378a007 Rattus norvegicus 1
15925511 10.1016/j.bmcl.2005.04.064 No relevant target 1
22616902 10.1021/jm300260v Indoleamine 2,3-dioxygenase 1 1
22616902 10.1021/jm300260v No relevant target 1
33557523 10.1021/acs.jmedchem.0c01968 Indoleamine 2,3-dioxygenase 1 1
33557523 10.1021/acs.jmedchem.0c01968 HEK-293T 1

Data from ChEMBL 36 via Core Engine