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Compound Detail

CHEMBL1789440

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N=C(N)c1ccc2cc(-c3ccc(-c4ccccc4)cc3)[nH]c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1789440
Phase Preclinical
Structure Type MOL
InChI Key YCBDYISNIUZUCT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

311.4
MW (Da)
4.79
ALogP
1
HBA
3
HBD
65.7
PSA (Ų)
0.37
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17N3
MW 311.39
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -0.55

Data from ChEMBL 36 via Core Engine