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Compound Detail

CHEMBL1193282

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COc1ccc(-n2nnnc2N)cc1CN[C@H]1CCCN[C@H]1c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1193282
Phase Preclinical
Structure Type MOL
InChI Key WYRPCOFFVKVQGR-HKUYNNGSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

379.5
MW (Da)
1.84
ALogP
8
HBA
3
HBD
102.9
PSA (Ų)
0.60
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 C20H25N7O
MW 379.47
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.04

Data from ChEMBL 36 via Core Engine