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Compound Detail

CHEMBL3948771

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c1cc2[nH]ncc2cc1CCc1nn[nH]n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3948771
Phase Preclinical
Structure Type MOL
InChI Key AFTKSYWTEVKVBX-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

214.2
MW (Da)
0.86
ALogP
4
HBA
2
HBD
83.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H10N6
MW 214.23
Aromatic Rings 3
Heavy Atoms 16
NP-Likeness -1.64

Activity Summary

Ki 2 meas.

Data from ChEMBL 36 via Core Engine