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Compound Detail

CHEMBL1789312

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N=C(N)c1ccc(-c2ccc3cc(-c4ccc(C(=N)N)cc4)[nH]c3c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1789312
Phase Preclinical
Structure Type MOL
InChI Key AXMNWOOVENPWID-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

353.4
MW (Da)
4.07
ALogP
2
HBA
5
HBD
115.5
PSA (Ų)
0.28
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19N5
MW 353.43
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.34

Data from ChEMBL 36 via Core Engine