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Compound Detail

CHEMBL3039837

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c1ncc([C@H]2C[C@@H]2CCN2CCNCC2)cc1OC[C@@H]1CCN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3039837
Phase Preclinical
Structure Type MOL
InChI Key KFYGXDAWPRFWRG-ZVZYQTTQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

316.4
MW (Da)
1.22
ALogP
5
HBA
2
HBD
49.4
PSA (Ų)
0.79
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 C18H28N4O
MW 316.45
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.20

Data from ChEMBL 36 via Core Engine