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Compound Detail

CHEMBL1270651

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CN(C)Cc1ccccc1-c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1

Basic Information

ChEMBL ID CHEMBL1270651
Phase Preclinical
Structure Type MOL
InChI Key FJQYYWBVLQJICY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names

Molecular Properties

519.4
MW (Da)
6.62
ALogP
4
HBA
2
HBD
74.3
PSA (Ų)
0.29
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H24Cl2N4O2
MW 519.43
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.52

Activity Summary

Ki 1 meas. best 10.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Coagulation factor X
CHEMBL244
Ki 10.0 10.0 0.1 1

Pharmacokinetic Data

Parameter Value Units Species
F 100.0 % Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Coagulation factor X Ki = 0.1 nM 10.0 Inhibition of factor 10a 20503967

Literature References

PubMed DOI Target Context # Activities
20503967 10.1021/jm100146h Coagulation factor X 1
20503967 10.1021/jm100146h Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine