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Compound Detail

CHEMBL1789433

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N=C(N)c1ccc(C#Cc2cc3ccc(C(=N)N)cc3[nH]2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1789433
Phase Preclinical
Structure Type MOL
InChI Key JEZCBAUQKXDLBD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

301.4
MW (Da)
2.14
ALogP
2
HBA
5
HBD
115.5
PSA (Ų)
0.28
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15N5
MW 301.35
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.33

Data from ChEMBL 36 via Core Engine