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Compound Detail

CHEMBL5439115

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Cc1nc(-c2ccnc(Nc3ccc4[nH]c(C(=O)NCCN5CCCC5)cc4c3)n2)c(C)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5439115
Phase Preclinical
Structure Type MOL
InChI Key QVEBWGBXZGGGHB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

461.6
MW (Da)
4.27
ALogP
7
HBA
3
HBD
98.8
PSA (Ų)
0.38
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27N7OS
MW 461.60
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.73

Literature References

PubMed DOI Target Context # Activities
37983615 10.1021/acs.jmedchem.3c01336 T47D 1
37983615 10.1021/acs.jmedchem.3c01336 MDA-MB-231 1
37983615 10.1021/acs.jmedchem.3c01336 MCF-10A 1

Data from ChEMBL 36 via Core Engine