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Compound Detail

CHEMBL1189251

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Oc1nc(Nc2ccccc2)nc2c1ncn2CCCCN1CCCCC1c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1189251
Phase Preclinical
Structure Type MOL
InChI Key HNBKFHFBSZEYKX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

442.6
MW (Da)
5.28
ALogP
7
HBA
2
HBD
79.1
PSA (Ų)
0.36
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H30N6O
MW 442.57
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.15

Data from ChEMBL 36 via Core Engine