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Compound Detail

CHEMBL2219823

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CCCN(C)CCCC#C[C@H]1CC[C@H](N(C)C(=O)Oc2ccc(Cl)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2219823
Phase Preclinical
Structure Type MOL
InChI Key FXHALLFKKHHPNQ-XUTJKUGGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

405.0
MW (Da)
5.45
ALogP
3
HBA
0
HBD
32.8
PSA (Ų)
0.45
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H33ClN2O2
MW 404.98
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness -0.83

Data from ChEMBL 36 via Core Engine