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Compound Detail

CHEMBL5284509

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O=C(Cc1ccccc1)N1CCN(c2ccc(O)nn2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5284509
Phase Preclinical
Structure Type MOL
InChI Key WUUBQWRYEVHNBF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

298.4
MW (Da)
1.07
ALogP
5
HBA
1
HBD
69.6
PSA (Ų)
0.92
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18N4O2
MW 298.35
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.88

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