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Compound Detail

CHEMBL2414196

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Cc1ncc(CO)c(/C=N/NC(=O)CN2CCN(Cc3ccccc3)CC2)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2414196
Phase Preclinical
Structure Type MOL
InChI Key QFPVDYVNRNGXRQ-FSJBWODESA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

397.5
MW (Da)
0.86
ALogP
7
HBA
3
HBD
101.3
PSA (Ų)
0.47
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 C21H27N5O3
MW 397.48
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.37

Activity Summary

Kd 1 meas.

Literature References

PubMed DOI Target Context # Activities
23859779 10.1016/j.bmc.2013.06.037 PC-12 8
23859779 10.1016/j.bmc.2013.06.037 No relevant target 2

Data from ChEMBL 36 via Core Engine