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Compound Detail

CHEMBL4597007

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COc1cc(OC)cc(C(=O)Nc2nc(-c3ccccc3)c(CCCN3CCCCC3)s2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4597007
Phase Preclinical
Structure Type MOL
InChI Key KBXUYUQYRGUFRM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

465.6
MW (Da)
5.50
ALogP
6
HBA
1
HBD
63.7
PSA (Ų)
0.45
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H31N3O3S
MW 465.62
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.51

Data from ChEMBL 36 via Core Engine