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Compound Detail

CHEMBL4301597

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C/N=C(\NC)c1ccc(CN2CCN(Cc3ccc(/C(=N/C)NC)cc3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4301597
Phase Preclinical
Structure Type MOL
InChI Key UXTLAFJDTNWETD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

406.6
MW (Da)
2.20
ALogP
4
HBA
2
HBD
55.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H34N6
MW 406.58
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.63

Data from ChEMBL 36 via Core Engine