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Compound Detail

CHEMBL1207269

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CCCCCOc1nc2ccccc2cc1C(O)CC#CCCCC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1207269
Phase Preclinical
Structure Type MOL
InChI Key XYAOXOLKBMMGPK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

369.5
MW (Da)
4.49
ALogP
4
HBA
2
HBD
79.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H27NO4
MW 369.46
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.06

Data from ChEMBL 36 via Core Engine