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Compound Detail

CHEMBL2031508

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O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2031508
Phase Preclinical
Structure Type MOL
InChI Key RYFZBPVMVYTEKZ-UONOGXRCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

283.3
MW (Da)
1.20
ALogP
2
HBA
2
HBD
65.2
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H17N3O2
MW 283.33
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.62

Literature References

PubMed DOI Target Context # Activities
22617493 10.1016/j.bmcl.2012.04.119 A2780 2
22617493 10.1016/j.bmcl.2012.04.119 K562 1

Data from ChEMBL 36 via Core Engine