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Compound Detail

CHEMBL1195303

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O=C(NCCNCC1COc2ccccc2O1)c1ccco1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1195303
Phase Preclinical
Structure Type MOL
InChI Key PJSQPPHBFVUMIT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

302.3
MW (Da)
1.44
ALogP
5
HBA
2
HBD
72.7
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18N2O4
MW 302.33
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.92

Data from ChEMBL 36 via Core Engine