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Compound Detail

CHEMBL4301481

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Cc1nc(CCCCCCCc2ccc([C@H]3CCN[C@@H]3CO)cc2)co1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4301481
Phase Preclinical
Structure Type MOL
InChI Key HWXQJGSAJIRXAP-FGZHOGPDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

356.5
MW (Da)
4.16
ALogP
4
HBA
2
HBD
58.3
PSA (Ų)
0.63
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 C22H32N2O2
MW 356.51
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.52

Data from ChEMBL 36 via Core Engine