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Compound Detail

CHEMBL308368

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O=C1c2cccc3nc(O)cc(c23)C(=O)N1CCNCCCCNCCN1C(=O)c2cccc3nc(O)cc(c23)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL308368
Phase Preclinical
Structure Type MOL
InChI Key UMIDPGCNLTWAAC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

568.6
MW (Da)
2.05
ALogP
10
HBA
4
HBD
165.1
PSA (Ų)
0.16
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H28N6O6
MW 568.59
Aromatic Rings 4
Heavy Atoms 42
NP-Likeness -0.46

Literature References

PubMed DOI Target Context # Activities
15084122 10.1021/jm0310784 HT-29 1
15084122 10.1021/jm0310784 HeLa 1
15084122 10.1021/jm0310784 PC-3 1

Data from ChEMBL 36 via Core Engine