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Compound Detail

CHEMBL1229178

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c1cncc(-c2ccccc2O[C@@H]2C[C@H]3CNC[C@@H]2C3)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1229178
Phase Preclinical
Structure Type MOL
InChI Key HXZFPBBYBMMKAQ-DHSIGJKJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

280.4
MW (Da)
3.13
ALogP
3
HBA
1
HBD
34.1
PSA (Ų)
0.94
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 C18H20N2O
MW 280.37
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.10

Data from ChEMBL 36 via Core Engine