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Compound Detail

CHEMBL4802821

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Oc1ccccc1C1NCCc2c1[nH]c1ccc(Cl)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4802821
Phase Preclinical
Structure Type MOL
InChI Key PLXXRCNTKRKXTL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

298.8
MW (Da)
3.76
ALogP
2
HBA
3
HBD
48.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15ClN2O
MW 298.77
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness 0.17

Data from ChEMBL 36 via Core Engine