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Compound Detail

CHEMBL1384064

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CCn1c(CSc2n[nH]c(N)n2)nc2cc(C(=O)O)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1384064
Phase Preclinical
Structure Type MOL
InChI Key IUAXNJRDRINNMZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

318.4
MW (Da)
1.75
ALogP
7
HBA
3
HBD
122.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H14N6O2S
MW 318.36
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -2.15

Activity Summary

IC50 1 meas. best 5.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibrinogen beta chain
CHEMBL2048
 IC50 5.05 5.05 8920.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fibrinogen beta chain IC50 = 8920.0 nM 5.05 PubChem BioAssay. Fluorescence polarization-based biochemical high throughput do... -

Data from ChEMBL 36 via Core Engine