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Compound Detail

CHEMBL4302773

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CN(Cc1ccc(OCCCN)cc1)c1nc2ccc(Oc3ccccc3)cc2s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4302773
Phase Preclinical
Structure Type MOL
InChI Key XEAAAZUVXXQYLW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

419.6
MW (Da)
5.45
ALogP
6
HBA
1
HBD
60.6
PSA (Ų)
0.37
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H25N3O2S
MW 419.55
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.43

Data from ChEMBL 36 via Core Engine