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Compound Detail

CHEMBL3304666

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N=C(N)c1ccc(OCc2cccc(-c3cccc(COc4ccc(C(=N)N)cc4)c3)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3304666
Phase Preclinical
Structure Type MOL
InChI Key XUYPIFBUCCKWTG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

450.5
MW (Da)
5.08
ALogP
4
HBA
4
HBD
118.2
PSA (Ų)
0.21
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H26N4O2
MW 450.54
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.22

Data from ChEMBL 36 via Core Engine