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Compound Detail

CHEMBL5613975

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CN(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1CCCN(C(=O)c2cnccn2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5613975
Phase Preclinical
Structure Type MOL
InChI Key CMUCHPJSVHKFJF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

466.6
MW (Da)
3.77
ALogP
5
HBA
2
HBD
90.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H38N6O2
MW 466.63
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -2.03

Literature References

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

Data from ChEMBL 36 via Core Engine