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Compound Detail

CHEMBL190386

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Cc1cccc2c1cc(C(=O)NC1CCN(C(C)C)CC1)n2CC(=O)Nc1ccc(C(=N)N)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL190386
Phase Preclinical
Structure Type MOL
InChI Key RSKIMKNCTVVGCK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

474.6
MW (Da)
3.48
ALogP
5
HBA
4
HBD
116.2
PSA (Ų)
0.31
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H34N6O2
MW 474.61
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.54

Activity Summary

Ki 1 meas. best 7.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Coagulation factor X
CHEMBL244
 Ki 7.6 7.6 25.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Coagulation factor X Ki = 25.0 nM 7.6 Binding affinity for human factor Xa 15999990

Literature References

PubMed DOI Target Context # Activities
15999990 10.1021/jm0490540 Coagulation factor X 1

Data from ChEMBL 36 via Core Engine