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Compound Detail

CHEMBL4550520

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NC(=O)c1ccccc1Cn1ccc2ccc(-c3cc(N)n[nH]3)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4550520
Phase Preclinical
Structure Type MOL
InChI Key ROHVJUHQBXCBNY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

331.4
MW (Da)
2.76
ALogP
4
HBA
3
HBD
102.7
PSA (Ų)
0.54
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 C19H17N5O
MW 331.38
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.14

Literature References

PubMed DOI Target Context # Activities
31282680 10.1021/acs.jmedchem.9b00809 Unchecked 2

Data from ChEMBL 36 via Core Engine