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Compound Detail

CHEMBL244393

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CC(C)(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL244393
Phase Preclinical
Structure Type MOL
InChI Key CIMXZQGTVPDIJR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

274.4
MW (Da)
4.98
ALogP
0
HBA
2
HBD
31.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18N2
MW 274.37
Aromatic Rings 4
Heavy Atoms 21
NP-Likeness 0.02

Literature References

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

Data from ChEMBL 36 via Core Engine