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Compound Detail

CHEMBL1508461

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C=CCN1C(=O)NC(=O)/C(=C/c2ccc(OC)c(CSc3ccccn3)c2)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1508461
Phase Preclinical
Structure Type MOL
InChI Key OHZJABNJZIYDGR-VBKFSLOCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

409.5
MW (Da)
3.03
ALogP
6
HBA
1
HBD
88.6
PSA (Ų)
0.33
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19N3O4S
MW 409.47
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.40

Data from ChEMBL 36 via Core Engine