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Compound Detail

CHEMBL1179208

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O=C(c1cn(C(=O)OCc2ccccc2)c2ccccc12)[C@@H]1CSC(c2cccnc2)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1179208
Phase Preclinical
Structure Type MOL
InChI Key BOQGBGXXEKCWEY-XEGCMXMBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

443.5
MW (Da)
4.81
ALogP
7
HBA
1
HBD
73.2
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H21N3O3S
MW 443.53
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.61

Data from ChEMBL 36 via Core Engine