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Compound Detail

CHEMBL1852235

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COc1ccc(OCCCON2C(N)=NC(N)=NC23CCCCC3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1852235
Phase Preclinical
Structure Type MOL
InChI Key ZMHQLDMZOJEMLH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

361.4
MW (Da)
2.00
ALogP
8
HBA
2
HBD
107.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H27N5O3
MW 361.45
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.10

Data from ChEMBL 36 via Core Engine