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Compound Detail

CHEMBL362671

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CC1c2cc(C3CC3c3ccc4cc(C(=N)N)ccc4c3)ccc2CCN1C

Basic Information

ChEMBL ID CHEMBL362671
Phase Preclinical
Structure Type MOL
InChI Key BRZMIZNCFORRIR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
4
PK Parameters
7
Publications
0
Known Names

Molecular Properties

369.5
MW (Da)
4.94
ALogP
2
HBA
2
HBD
53.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27N3
MW 369.51
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness 0.43

Activity Summary

Ki 1 meas. best 6.53

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Urokinase-type plasminogen activator
CHEMBL3286
Ki 6.53 6.53 293.0 1

Pharmacokinetic Data

Parameter Value Units Species
AUC 254.96 ng.hr.mL-1 Rattus norvegicus
F - % Rattus norvegicus
T1/2 0.28 hr Rattus norvegicus
Vd 2.9 L.kg-1 Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Urokinase-type plasminogen activator Ki = 293.0 nM 6.53 Binding affinity value against urokinase plasminogen activator 15582418

Literature References

PubMed DOI Target Context # Activities
15582418 10.1016/j.bmcl.2004.10.026 ADMET 5
15582418 10.1016/j.bmcl.2004.10.026 Urokinase-type plasminogen activator 1
15582418 10.1016/j.bmcl.2004.10.026 Tissue-type plasminogen activator 1
15582418 10.1016/j.bmcl.2004.10.026 Unchecked 1
15582418 10.1016/j.bmcl.2004.10.026 Plasminogen 1
15582418 10.1016/j.bmcl.2004.10.026 Kallikrein-1 1
15582418 10.1016/j.bmcl.2004.10.026 Trypsin 1

Data from ChEMBL 36 via Core Engine