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Compound Detail

CHEMBL5171194

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CC1(N)CCN(c2cnc(-c3ccccc3)c(N)n2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5171194
Phase Preclinical
Structure Type MOL
InChI Key SOXMVOHOAVRUER-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

283.4
MW (Da)
2.04
ALogP
5
HBA
2
HBD
81.1
PSA (Ų)
0.88
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H21N5
MW 283.38
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.63

Literature References

PubMed DOI Target Context # Activities
35063735 10.1016/j.ejmech.2022.114106 Tyrosine-protein phosphatase non-receptor type 11 4

Data from ChEMBL 36 via Core Engine