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Compound Detail

CHEMBL1606695

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Cc1cc(O)n2c(n1)nc1ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1606695
Phase Preclinical
Structure Type MOL
InChI Key GDUPORKSABXXOG-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

199.2
MW (Da)
1.90
ALogP
4
HBA
1
HBD
50.4
PSA (Ų)
0.60
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H9N3O
MW 199.21
Aromatic Rings 3
Heavy Atoms 15
NP-Likeness -1.40

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
10612592 10.1016/s0960-894x(99)00598-3 KB 1
10612592 10.1016/s0960-894x(99)00598-3 A549 1
10612592 10.1016/s0960-894x(99)00598-3 CAKI-1 1
10612592 10.1016/s0960-894x(99)00598-3 MCF7 1
10612592 10.1016/s0960-894x(99)00598-3 1A9 1
10612592 10.1016/s0960-894x(99)00598-3 SAOS-2 1
10612592 10.1016/s0960-894x(99)00598-3 SK-MEL-2 1
10612592 10.1016/s0960-894x(99)00598-3 U-87 MG 1
11473435 10.1021/np0101189 H9 1
11473435 10.1021/np0101189 Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine