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Compound Detail

CHEMBL16151

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COc1cccc([C@H]2C/C(=N\NC(=O)C(=O)NC(C)c3ccccc3)c3ccccc3N2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL16151
Phase Preclinical
Structure Type MOL
InChI Key KCRLNXQTWQLXKK-ZLHQUMCUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

442.5
MW (Da)
3.95
ALogP
5
HBA
3
HBD
91.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H26N4O3
MW 442.52
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.75

Literature References

PubMed DOI Target Context # Activities
9544215 10.1021/jm9707479 KB 1
9544215 10.1021/jm9707479 A549 1
9544215 10.1021/jm9707479 HCT-8 1
9544215 10.1021/jm9707479 CAKI-1 1
9544215 10.1021/jm9707479 MCF7 1
9544215 10.1021/jm9707479 Tubulin 1

Data from ChEMBL 36 via Core Engine