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Compound Detail

CHEMBL5178615

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CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccc(O)cc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5178615
Phase Preclinical
Structure Type MOL
InChI Key GTELYBSSPKMRNM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

339.4
MW (Da)
1.78
ALogP
6
HBA
3
HBD
112.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17N5O3
MW 339.36
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.91

Literature References

PubMed DOI Target Context # Activities
35271288 10.1021/acs.jmedchem.1c01759 Adenylate cyclase type 8 2
35271288 10.1021/acs.jmedchem.1c01759 Adenylate cyclase type 1 1

Data from ChEMBL 36 via Core Engine