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Compound Detail

CHEMBL297178

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C(=C/c1nc2ccccc2o1)\c1ccc(OCCCn2ccnc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL297178
Phase Preclinical
Structure Type MOL
InChI Key WQKDSYXCWJCYAW-DHZHZOJOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

345.4
MW (Da)
4.66
ALogP
5
HBA
0
HBD
53.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19N3O2
MW 345.40
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.19

Data from ChEMBL 36 via Core Engine