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Compound Detail

CHEMBL4469899

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Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CCCC(=O)O)Cc2ccc3ccccc3c2)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4469899
Phase Preclinical
Structure Type MOL
InChI Key SZFMJKGIJICVEY-PXOHRUDZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

492.5
MW (Da)
1.55
ALogP
10
HBA
4
HBD
159.8
PSA (Ų)
0.27
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28N6O5
MW 492.54
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness 0.07

Literature References

PubMed DOI Target Context # Activities
31265285 10.1021/acs.jmedchem.9b00413 Nicotinamide N-methyltransferase 1

Data from ChEMBL 36 via Core Engine