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Compound Detail

CHEMBL4857688

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Nc1ccc2nccc(NCCc3ccccc3)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4857688
Phase Preclinical
Structure Type MOL
InChI Key INHGBWANPTWRAL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

263.3
MW (Da)
3.47
ALogP
3
HBA
2
HBD
50.9
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17N3
MW 263.34
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.92

Literature References

PubMed DOI Target Context # Activities
35114084 10.1021/acs.jmedchem.1c01951 CDK8/Cyclin C 1
35114084 10.1021/acs.jmedchem.1c01951 Unchecked 1

Data from ChEMBL 36 via Core Engine