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Compound Detail

CHEMBL534146

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Oc1ccc(Nc2nc(N3CCCC3)c3ccccc3n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL534146
Phase Preclinical
Structure Type MOL
InChI Key NVPSCBQVMTWTEQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

306.4
MW (Da)
3.68
ALogP
5
HBA
2
HBD
61.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18N4O
MW 306.37
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.23

Data from ChEMBL 36 via Core Engine