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Compound Detail

CHEMBL1741022

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Cc1ccc2c(c1)sc1nc(/C=C3/C(=O)N4C(C(=O)O)=CS[C@H]34)cn12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1741022
Phase Preclinical
Structure Type MOL
InChI Key QIAAAFQSVXOMRB-WSVPDTOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

369.4
MW (Da)
3.08
ALogP
6
HBA
1
HBD
74.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H11N3O3S2
MW 369.43
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.14

Data from ChEMBL 36 via Core Engine