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Compound Detail

CHEMBL78657

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C[C@@]1([C@H](OC(=O)c2cnc3ccccc3n2)C(N)=O)CO1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL78657
Phase Preclinical
Structure Type MOL
InChI Key VCCVZUSTKULMKE-RISCZKNCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

287.3
MW (Da)
0.43
ALogP
6
HBA
1
HBD
107.7
PSA (Ų)
0.65
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 C14H13N3O4
MW 287.27
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.34

Literature References

PubMed DOI Target Context # Activities
10698444 10.1016/s0960-894x(99)00663-0 A2780 1
10698444 10.1016/s0960-894x(99)00663-0 A2780cisR 1
10698444 10.1016/s0960-894x(99)00663-0 CH1 1
10698444 10.1016/s0960-894x(99)00663-0 SK-OV-3 1
10698444 10.1016/s0960-894x(99)00663-0 HT-29 1

Data from ChEMBL 36 via Core Engine