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Compound Detail

CHEMBL416181

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N=C(c1ccc(NC(=O)c2nnnn2-c2cc3ccccc3cc2F)c(F)c1)N1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL416181
Phase Preclinical
Structure Type MOL
InChI Key MTYNQJDXFWWIDO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

461.5
MW (Da)
4.16
ALogP
6
HBA
2
HBD
99.8
PSA (Ų)
0.35
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21F2N7O
MW 461.48
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.47

Activity Summary

IC50 1 meas. best 7.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Coagulation factor X
CHEMBL244
 IC50 7.12 7.12 76.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Coagulation factor X IC50 = 76.0 nM 7.12 In vitro inhibitory activity against human coagulation factor X 14980671

Literature References

PubMed DOI Target Context # Activities
14980671 10.1016/j.bmcl.2003.12.054 Coagulation factor X 1

Data from ChEMBL 36 via Core Engine