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Compound Detail

CHEMBL1388745

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CCN1CCN(c2cc(C)c3cc(NC(=O)c4ccncc4)ccc3n2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1388745
Phase Preclinical
Structure Type MOL
InChI Key PGMOKIBAAJIYPX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

375.5
MW (Da)
3.33
ALogP
5
HBA
1
HBD
61.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25N5O
MW 375.48
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -2.04

Literature References

PubMed DOI Target Context # Activities
29028527 10.1016/j.ejmech.2017.07.080 MCF7 1
29028527 10.1016/j.ejmech.2017.07.080 SK-BR-3 1

Data from ChEMBL 36 via Core Engine