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Compound Detail

CHEMBL4859911

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CN1C(=O)[C@@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)COc2ncccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4859911
Phase Preclinical
Structure Type MOL
InChI Key NTKXYGCQBRGBKF-ZDUSSCGKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

378.4
MW (Da)
0.94
ALogP
6
HBA
2
HBD
113.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18N6O3
MW 378.39
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.91

Literature References

PubMed DOI Target Context # Activities
33930803 10.1016/j.ejmech.2021.113484 HT-29 2

Data from ChEMBL 36 via Core Engine