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Compound Detail

CHEMBL4086053

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Cc1cc2c(N[C@H]3CC[C@H](N(C)C)CC3)ncnc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4086053
Phase Preclinical
Structure Type MOL
InChI Key ORAKDDIOFWZFNF-HAQNSBGRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

273.4
MW (Da)
2.55
ALogP
4
HBA
2
HBD
56.8
PSA (Ų)
0.90
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 C15H23N5
MW 273.38
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.20

Literature References

PubMed DOI Target Context # Activities
29172502 10.1021/acs.jmedchem.7b01290 Interleukin-1 receptor-associated kinase 4 2
29172502 10.1021/acs.jmedchem.7b01290 No relevant target 1

Data from ChEMBL 36 via Core Engine