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Compound Detail

CHEMBL4169696

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Cc1cnc2c(N)c(C(=O)NCCc3ccc(N4CC5CCC(C4)N5)c(F)c3)sc2n1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4169696
Phase Preclinical
Structure Type MOL
InChI Key VIDUJJYBCYJRRE-UHFFFAOYSA-N
Parent Compound CHEMBL4300699
Active Moiety CHEMBL4300699
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

440.6
MW (Da)
2.63
ALogP
7
HBA
3
HBD
96.2
PSA (Ų)
0.56
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 C22H26ClFN6OS
MW 477.01
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.41

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