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Compound Detail

CHEMBL5425100

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C#CCn1c(=O)c2[nH]c(CCc3cccc(OC)c3)nc2n(CCCO)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5425100
Phase Preclinical
Structure Type MOL
InChI Key BBMRMQVUUQGSOW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

382.4
MW (Da)
0.70
ALogP
7
HBA
2
HBD
102.1
PSA (Ų)
0.56
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22N4O4
MW 382.42
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.06

Literature References

PubMed DOI Target Context # Activities
37967029 10.1021/acs.jmedchem.3c01013 Unchecked 4

Data from ChEMBL 36 via Core Engine