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Compound Detail

CHEMBL2031514

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C[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2031514
Phase Preclinical
Structure Type MOL
InChI Key VDMMFAOUINDEGC-QPUJVOFHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

257.3
MW (Da)
0.71
ALogP
2
HBA
3
HBD
74.0
PSA (Ų)
0.74
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 C14H15N3O2
MW 257.29
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 1.15

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