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Compound Detail

CHEMBL1196473

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C=CCN(CC=C)CCCCn1cnc2c(O)nc(Nc3ccccc3)nc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1196473
Phase Preclinical
Structure Type MOL
InChI Key VKFKZKOLOJWSKL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

378.5
MW (Da)
3.73
ALogP
7
HBA
2
HBD
79.1
PSA (Ų)
0.39
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 C21H26N6O
MW 378.48
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.45

Data from ChEMBL 36 via Core Engine