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Compound Detail

CHEMBL50617

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C(=C/c1nc2ccccc2s1)\c1ccc(OCCCCN2CCCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL50617
Phase Preclinical
Structure Type MOL
InChI Key WVCWQWVTIGZJDB-SDNWHVSQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

378.5
MW (Da)
5.72
ALogP
4
HBA
0
HBD
25.4
PSA (Ų)
0.47
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26N2OS
MW 378.54
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.43

Data from ChEMBL 36 via Core Engine