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Compound Detail

CHEMBL1183341

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c1ccc2c(COCCCc3c[nH]cn3)cccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1183341
Phase Preclinical
Structure Type MOL
InChI Key DHHYUFXPOILYHW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

266.3
MW (Da)
3.71
ALogP
2
HBA
1
HBD
37.9
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18N2O
MW 266.34
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.64

Data from ChEMBL 36 via Core Engine