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Compound Detail

CHEMBL1762753

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CC1(C)C(=O)C(C#N)=C[C@]2(C)C3=CC(=O)CC[C@]3(CN)CC[C@@H]12.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1762753
Phase Preclinical
Structure Type MOL
InChI Key FHZROTKFFPLXIC-PHANBDLMSA-N
Parent Compound CHEMBL1789140
Active Moiety CHEMBL1789140
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

312.4
MW (Da)
2.70
ALogP
4
HBA
1
HBD
84.0
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H25ClN2O2
MW 348.87
Aromatic Rings 0
Heavy Atoms 23
NP-Likeness 1.60

Activity Summary

IC50 1 meas. best 6.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAW264.7
CHEMBL612557
 IC50 6.62 6.62 240.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RAW264.7 IC50 = 240.0 nM 6.62 Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of IFN-... 21361338

Literature References

PubMed DOI Target Context # Activities
21361338 10.1021/jm101445p RAW264.7 1

Data from ChEMBL 36 via Core Engine