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Compound Detail

CHEMBL4871037

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Cc1cnc2c(c1)N(C)C(=O)[C@H](NC(=O)c1n[nH]c(Cc3ccccc3)n1)CO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4871037
Phase Preclinical
Structure Type MOL
InChI Key MXTPPXRYSPZOPG-CQSZACIVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

392.4
MW (Da)
1.25
ALogP
6
HBA
2
HBD
113.1
PSA (Ų)
0.69
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 C20H20N6O3
MW 392.42
Aromatic Rings 3
Heavy Atoms 29
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