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Compound Detail

CHEMBL5417307

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C#Cc1c(F)ccc2cc(O)cc(-c3ncc4c(N5C[C@H]6CC[C@@H](C5)N6)nc(OC[C@]56CCCN5[C@@H](Cn5cc(COCCOC)nn5)CC6)nc4c3F)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5417307
Phase Preclinical
Structure Type MOL
InChI Key QNGMZOZBDBZACH-KPRKDUJRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

751.8
MW (Da)
4.58
ALogP
13
HBA
2
HBD
135.8
PSA (Ų)
0.14
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C40H43F2N9O4
MW 751.84
Aromatic Rings 5
Heavy Atoms 55
NP-Likeness -0.62

Literature References

PubMed DOI Target Context # Activities
37921024 10.1021/acs.jmedchem.3c01724 ASPC1 1
37921024 10.1021/acs.jmedchem.3c01724 AGS 1
37921024 10.1021/acs.jmedchem.3c01724 A549 1
37921024 10.1021/acs.jmedchem.3c01724 NCI-H1299 1

Data from ChEMBL 36 via Core Engine