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Compound Detail

CHEMBL5612304

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COC(=O)CCN(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1(O)CCN(c2ncnc3[nH]cnc23)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5612304
Phase Preclinical
Structure Type MOL
InChI Key BDPFYCKUBUPGHL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

552.7
MW (Da)
2.67
ALogP
9
HBA
4
HBD
148.6
PSA (Ų)
0.21
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H40N8O4
MW 552.68
Aromatic Rings 3
Heavy Atoms 40
NP-Likeness -1.14

Literature References

PubMed DOI Target Context # Activities
39255403 10.1021/acs.jmedchem.4c01096 NCI-H460 2

Data from ChEMBL 36 via Core Engine