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Compound Detail

CHEMBL536587

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O=C(c1ccccc1)c1ccc(NC2=NCCN2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL536587
Phase Preclinical
Structure Type MOL
InChI Key WSOKEKGHUMCLTP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

265.3
MW (Da)
2.29
ALogP
4
HBA
2
HBD
53.5
PSA (Ų)
0.84
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 C16H15N3O
MW 265.32
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.59

Data from ChEMBL 36 via Core Engine