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Compound Detail

CHEMBL277048

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Cn1c(-c2ccccc2)cc(=O)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL277048
Phase Preclinical
Structure Type MOL
InChI Key AFKNCQDBTBDPOQ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

235.3
MW (Da)
3.21
ALogP
2
HBA
0
HBD
22.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H13NO
MW 235.29
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -0.14

Activity Summary

Kd 1 meas.

Literature References

PubMed DOI Target Context # Activities
11689079 10.1021/jm0101085 Tubulin alpha chain 1
8387598 10.1021/jm00061a005 A549 1
8387598 10.1021/jm00061a005 HCT-8 1
8387598 10.1021/jm00061a005 RPMI-7951 1
8387598 10.1021/jm00061a005 KB 1
8387598 10.1021/jm00061a005 P388 1
8387598 10.1021/jm00061a005 L1210 (1565) 1
8387598 10.1021/jm00061a005 Tubulin beta chain 1
21183345 10.1016/j.bmcl.2010.11.110 Unchecked 1

Data from ChEMBL 36 via Core Engine