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Compound Detail

CHEMBL5404661

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CC1(C)CN[C@@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5404661
Phase Preclinical
Structure Type MOL
InChI Key QLPKCLIYOWKCRT-OAHLLOKOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

358.8
MW (Da)
3.08
ALogP
4
HBA
3
HBD
79.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19ClN4O2
MW 358.83
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.28

Activity Summary

IC50 1 meas. best 4.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
ICOS-ICOSL
CHEMBL5482971
 IC50 4.96 4.96 11080.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
ICOS-ICOSL IC50 = 11080.0 nM 4.96 Inhibition of C-terminal IgG1 Fc region fused human ICOS extracellular domain (1... 37731692

Literature References

PubMed DOI Target Context # Activities
37731692 10.1039/d3md00150d ICOS-ICOSL 1

Data from ChEMBL 36 via Core Engine