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Compound Detail

CHEMBL5612371

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CC(C)(C)C(=O)Nc1ccc2[nH]c(CN3CCC(N(CCCN4CCOCC4)CC4CCCN(C(=O)c5cnccn5)C4)CC3)nc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5612371
Phase Preclinical
Structure Type MOL
InChI Key QPFCPGWEEDPZCD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

659.9
MW (Da)
3.88
ALogP
9
HBA
2
HBD
122.8
PSA (Ų)
0.32
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H53N9O3
MW 659.88
Aromatic Rings 3
Heavy Atoms 48
NP-Likeness -2.06

Literature References

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

Data from ChEMBL 36 via Core Engine