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Compound Detail

CHEMBL1469705

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CCCCn1c2c(c3ccccc31)CCc1nonc1-2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1469705
Phase Preclinical
Structure Type MOL
InChI Key GEQSCUMNVJZVCN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

267.3
MW (Da)
3.59
ALogP
4
HBA
0
HBD
43.9
PSA (Ų)
0.73
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 C16H17N3O
MW 267.33
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.91

Data from ChEMBL 36 via Core Engine