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Compound Detail

CHEMBL205825

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Oc1ccnc2ccc3[nH]ccc3c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL205825
Phase Preclinical
Structure Type MOL
InChI Key XRAJSCDQISHBOE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

184.2
MW (Da)
2.42
ALogP
2
HBA
2
HBD
48.9
PSA (Ų)
0.56
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 C11H8N2O
MW 184.20
Aromatic Rings 3
Heavy Atoms 14
NP-Likeness 0.38

Literature References

PubMed DOI Target Context # Activities
16539377 10.1021/jm0510676 MCF7 1
16539377 10.1021/jm0510676 ARO 1
16539377 10.1021/jm0510676 A549 1
16539377 10.1021/jm0510676 HT-29 1
16539377 10.1021/jm0510676 PT-45 1
16539377 10.1021/jm0510676 4T1 1
16539377 10.1021/jm0510676 BNL 1
16539377 10.1021/jm0510676 NCI-H295R 1
16539377 10.1021/jm0510676 OVCAR-3 1
16539377 10.1021/jm0510676 HeLa 1
16539377 10.1021/jm0510676 HepG2 1

Data from ChEMBL 36 via Core Engine