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Compound Detail

CHEMBL4598044

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

Basic Information

ChEMBL ID CHEMBL4598044
Phase Preclinical
Structure Type MOL
InChI Key MYPKRCJGRKTUFB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

425.6
MW (Da)
4.57
ALogP
6
HBA
1
HBD
63.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27N3O3S
MW 425.55
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.46

Data from ChEMBL 36 via Core Engine