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Compound Detail

CHEMBL4597841

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COc1cc(OC)cc(C(=O)Nc2nc(-c3ccccc3)c(CN3CCCCC3)s2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4597841
Phase Preclinical
Structure Type MOL
InChI Key QPJCDNUZVIJGSJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

437.6
MW (Da)
5.07
ALogP
6
HBA
1
HBD
63.7
PSA (Ų)
0.56
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27N3O3S
MW 437.57
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.50

Data from ChEMBL 36 via Core Engine