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Compound Detail

CHEMBL4301117

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CN(Cc1ccc(OCCCN)cc1)c1nc2ccc(Oc3ccc(O)cc3)cc2s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4301117
Phase Preclinical
Structure Type MOL
InChI Key VQHRSQHEQKCBJL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

435.6
MW (Da)
5.16
ALogP
7
HBA
2
HBD
80.8
PSA (Ų)
0.35
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 C24H25N3O3S
MW 435.55
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.13

Data from ChEMBL 36 via Core Engine