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Compound Detail

CHEMBL85443

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c1ccc(-c2nc[nH]n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL85443
Phase Preclinical
Structure Type MOL
InChI Key NYMLZIFRPNYAHS-UHFFFAOYSA-N
0
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

145.2
MW (Da)
1.47
ALogP
2
HBA
1
HBD
41.6
PSA (Ų)
0.66
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 C8H7N3
MW 145.16
Aromatic Rings 2
Heavy Atoms 11
NP-Likeness -1.72

Activity Summary

IC50 1 meas.
Kd 1 meas.

Literature References

PubMed DOI Target Context # Activities
22616902 10.1021/jm300260v No relevant target 2
33557523 10.1021/acs.jmedchem.0c01968 Indoleamine 2,3-dioxygenase 1 2
10411471 10.1021/jm990073x Serine/threonine-protein kinase mTOR 1
22616902 10.1021/jm300260v Indoleamine 2,3-dioxygenase 1 1
33557523 10.1021/acs.jmedchem.0c01968 HEK-293T 1

Data from ChEMBL 36 via Core Engine