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Compound Detail

CHEMBL1229180

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COc1cncc(-c2ccccc2O[C@H]2C[C@@H]3CNC[C@H]2C3)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1229180
Phase Preclinical
Structure Type MOL
InChI Key LIWLPYIJYFIYKQ-MUKKUYKPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

310.4
MW (Da)
3.13
ALogP
4
HBA
1
HBD
43.4
PSA (Ų)
0.94
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22N2O2
MW 310.40
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.06

Data from ChEMBL 36 via Core Engine