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Compound Detail

CHEMBL2027851

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CNCc1cc2cc(OCc3ccccc3)ccc2n1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2027851
Phase Preclinical
Structure Type MOL
InChI Key UZRVAKKBVDVEAL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

280.4
MW (Da)
3.48
ALogP
3
HBA
1
HBD
26.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20N2O
MW 280.37
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.58

Data from ChEMBL 36 via Core Engine