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Compound Detail

CHEMBL4300460

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CCN(CCOc1ccc(C(=N)N)cc1)CCOc1ccc(C(=N)N)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4300460
Phase Preclinical
Structure Type MOL
InChI Key NMLXJYHOBCSKIX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

369.5
MW (Da)
2.03
ALogP
5
HBA
4
HBD
121.4
PSA (Ų)
0.36
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H27N5O2
MW 369.47
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.58

Data from ChEMBL 36 via Core Engine