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Compound Detail

CHEMBL1224397

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Cl.N=C(N)SCc1ccc(C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1224397
Phase Preclinical
Structure Type MOL
InChI Key HPNJQYNCSUCORC-UHFFFAOYSA-N
Parent Compound CHEMBL1229108
Active Moiety CHEMBL1229108
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

210.3
MW (Da)
1.51
ALogP
3
HBA
3
HBD
87.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H11ClN2O2S
MW 246.72
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.60

Literature References

PubMed DOI Target Context # Activities
20688518 10.1016/j.bmcl.2010.07.025 Indoleamine 2,3-dioxygenase 1 2

Data from ChEMBL 36 via Core Engine