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Compound Detail

CHEMBL4174196

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Cc1cnc2c(N)c(C(=O)NCCc3cc(F)c(N4CC5CCC(C4)N5)cc3F)sc2n1.Cl

Basic Information

ChEMBL ID CHEMBL4174196
Phase Preclinical
Structure Type MOL
InChI Key AWHVKIOGUZXTOT-UHFFFAOYSA-N
Parent Compound CHEMBL4300392
Active Moiety CHEMBL4300392
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

458.5
MW (Da)
2.77
ALogP
7
HBA
3
HBD
96.2
PSA (Ų)
0.54
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 C22H25ClF2N6OS
MW 495.00
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.35

Activity Summary

IC50 1 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ubiquitin carboxyl-terminal hydrolase 25
CHEMBL4295975
IC50 6.7 6.7 200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
29259735 10.1021/acsmedchemlett.7b00449 Ubiquitin carboxyl-terminal hydrolase 25 1
29259735 10.1021/acsmedchemlett.7b00449 Unchecked 1

Data from ChEMBL 36 via Core Engine