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Compound Detail

CHEMBL1186304

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COc1ccc([C@H]2C[C@H]3CC[C@H]([C@H]2C(=O)OC2CC2)N3C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1186304
Phase Preclinical
Structure Type MOL
InChI Key WONOGXBUZMFHAA-PILAGYSTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
2.97
ALogP
4
HBA
0
HBD
38.8
PSA (Ų)
0.80
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 C19H25NO3
MW 315.41
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 0.62

Data from ChEMBL 36 via Core Engine