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Compound Detail

CHEMBL18847

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Oc1nc(-c2ccc3ccccc3c2)nc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL18847
Phase Preclinical
Structure Type MOL
InChI Key XTMWMJDTSKFKCW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

272.3
MW (Da)
4.16
ALogP
3
HBA
1
HBD
46.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H12N2O
MW 272.31
Aromatic Rings 4
Heavy Atoms 21
NP-Likeness -1.02

Literature References

PubMed DOI Target Context # Activities
11354375 10.1016/s0960-894x(01)00190-1 KB 2
11354375 10.1016/s0960-894x(01)00190-1 Tubulin 1
11354375 10.1016/s0960-894x(01)00190-1 SK-MEL-2 1
11354375 10.1016/s0960-894x(01)00190-1 HCT-8 1
11354375 10.1016/s0960-894x(01)00190-1 MCF7 1
11354375 10.1016/s0960-894x(01)00190-1 A549 1
11354375 10.1016/s0960-894x(01)00190-1 1A9 1
11354375 10.1016/s0960-894x(01)00190-1 ADMET 1

Data from ChEMBL 36 via Core Engine