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Compound Detail

CHEMBL395292

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c1cc(-c2c[nH]c3ccccc23)cc(-c2c[nH]c3ccccc23)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL395292
Phase Preclinical
Structure Type MOL
InChI Key MHGFBWZATMNSQB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

308.4
MW (Da)
5.98
ALogP
0
HBA
2
HBD
31.6
PSA (Ų)
0.40
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H16N2
MW 308.38
Aromatic Rings 5
Heavy Atoms 24
NP-Likeness -0.12

Literature References

PubMed DOI Target Context # Activities
17602463 10.1021/jm070040e MCF7 1

Data from ChEMBL 36 via Core Engine