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Compound Detail

CHEMBL4796524

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CC(=O)N1CC[C@H]2CC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)NC(c3ccccc3)c3ccccc3)N2C(=O)[C@@H](NC(=O)c2cc3cc(C(=O)P(=O)(O)O)ccc3[nH]2)C1

Basic Information

ChEMBL ID CHEMBL4796524
Phase Preclinical
Structure Type MOL
InChI Key CBDWACUWZACOQO-VUCLUUCHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

813.8
MW (Da)
1.85
ALogP
8
HBA
7
HBD
261.4
PSA (Ų)
0.10
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C40H44N7O10P
MW 813.81
Aromatic Rings 4
Heavy Atoms 58
NP-Likeness -0.61

Literature References

PubMed DOI Target Context # Activities
34141084 10.1021/acsmedchemlett.1c00155 Signal transducer and activator of transcription 6 3
34141084 10.1021/acsmedchemlett.1c00155 Signal transducer and activator of transcription 1-alpha/beta 3
34141084 10.1021/acsmedchemlett.1c00155 Signal transducer and activator of transcription 5A 3
34141084 10.1021/acsmedchemlett.1c00155 Signal transducer and activator of transcription 3 3
34141084 10.1021/acsmedchemlett.1c00155 Signal transducer and activator of transcription 2 3
34141084 10.1021/acsmedchemlett.1c00155 Unchecked 3
34141084 10.1021/acsmedchemlett.1c00155 SU-DHL-1 1
34141084 10.1021/acsmedchemlett.1c00155 Signal transducer and activator of transcription 4 1

Data from ChEMBL 36 via Core Engine