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Compound Detail

CHEMBL6026208

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COC(=O)CNP(=O)(CSc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1)NCC(=O)OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6026208
Phase Preclinical
Structure Type MOL
InChI Key BHEGNFHVFZXINT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

569.3
MW (Da)
1.99
ALogP
11
HBA
4
HBD
177.3
PSA (Ų)
0.06
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H19BrFN6O7PS
MW 569.31
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -1.10

Activity Summary

IC50 1 meas. best 7.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Indoleamine 2,3-dioxygenase 1
CHEMBL4685
 IC50 7.85 7.85 14.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Indoleamine 2,3-dioxygenase 1 IC50 = 14.0 nM 7.85 Enzyme Assay: HIS-tagged IDO1 protein was recombinantly expressed in Escherichia... -

Data from ChEMBL 36 via Core Engine