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Compound Detail

CHEMBL5220341

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Nc1cc(NC[C@@H]2CCCC[C@H]2O)c2cn[nH]c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5220341
Phase Preclinical
Structure Type MOL
InChI Key XJHAQFCRICPWEX-LKFCYVNXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

260.3
MW (Da)
2.11
ALogP
4
HBA
4
HBD
87.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H20N4O
MW 260.34
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.55

Literature References

PubMed DOI Target Context # Activities
34110158 10.1021/acs.jmedchem.1c00303 Indoleamine 2,3-dioxygenase 1 1
34110158 10.1021/acs.jmedchem.1c00303 Tryptophan 2,3-dioxygenase 1

Data from ChEMBL 36 via Core Engine