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Compound Detail

CHEMBL313964

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O=C(CC1NCCC[C@@H]1O)Cn1cnccc1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL313964
Phase Preclinical
Structure Type MOL
InChI Key BHASWYKLSLEJKF-DTIOYNMSSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

251.3
MW (Da)
-0.68
ALogP
6
HBA
2
HBD
84.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H17N3O3
MW 251.29
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.33

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
12036365 10.1021/jm010448q FM3A 2
12036365 10.1021/jm010448q Unchecked 1

Data from ChEMBL 36 via Core Engine