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Compound Detail

CHEMBL64410

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CN(C)CCC/N=C(\N)c1ccc(-c2ccc(-c3nc4cc(/C(N)=N/CCCN(C)C)ccc4[nH]3)o2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL64410
Phase Preclinical
Structure Type MOL
InChI Key YWIIYARXKNEYNQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

514.7
MW (Da)
3.80
ALogP
6
HBA
3
HBD
125.1
PSA (Ų)
0.15
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H38N8O
MW 514.68
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -0.72

Literature References

PubMed DOI Target Context # Activities
11985467 10.1021/jm010539n B16 1

Data from ChEMBL 36 via Core Engine