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Compound Detail

CHEMBL5274665

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O=C(CCc1ccccc1)N1CCN(c2ncc(O)cn2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5274665
Phase Preclinical
Structure Type MOL
InChI Key FOBYHFIKMHYNNK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

312.4
MW (Da)
1.46
ALogP
5
HBA
1
HBD
69.6
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20N4O2
MW 312.37
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.06

Literature References

PubMed DOI Target Context # Activities
36655126 10.1021/acsmedchemlett.2c00369 NADP-dependent malic enzyme, mitochondrial 1
36655126 10.1021/acsmedchemlett.2c00369 NAD-dependent malic enzyme, mitochondrial 1
36655126 10.1021/acsmedchemlett.2c00369 NADP-dependent malic enzyme 1

Data from ChEMBL 36 via Core Engine