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Compound Detail

CHEMBL152611

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Cc1c(F)c(Oc2cccc(CC(=O)C(C)C)c2)nc(Oc2cccc(C(=N)N)c2)c1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL152611
Phase Preclinical
Structure Type MOL
InChI Key HFPPQCYDRVNGJV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

439.5
MW (Da)
5.30
ALogP
5
HBA
2
HBD
98.3
PSA (Ų)
0.37
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23F2N3O3
MW 439.46
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.48

Activity Summary

Ki 1 meas. best 5.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Coagulation factor X
CHEMBL244
 Ki 5.68 5.68 2100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Coagulation factor X Ki = 2100.0 nM 5.68 Inhibition of human Coagulation factor X was determined 14667222

Literature References

PubMed DOI Target Context # Activities
14667222 10.1021/jm030288d Coagulation factor X 1

Data from ChEMBL 36 via Core Engine