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Compound Detail

CHEMBL1437887

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COc1ccc(NC(=O)c2ccc(OC(=S)N(C)c3ccc(OC)cc3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1437887
Phase Preclinical
Structure Type MOL
InChI Key DALXKLKPSSLHOT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

422.5
MW (Da)
4.76
ALogP
5
HBA
1
HBD
60.0
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22N2O4S
MW 422.51
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.11

Data from ChEMBL 36 via Core Engine