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Compound Detail

CHEMBL5184558

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Cc1nc2c(F)cc(-c3nc(Nc4cc(Sc5cnc(N6CCC7(CC6)CO[C@@H](C)[C@H]7N)cn5)c(Cl)cn4)ncc3F)cc2n1C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5184558
Phase Preclinical
Structure Type MOL
InChI Key BNPGWCOARVMGMG-FZEVHQGJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

693.2
MW (Da)
6.73
ALogP
12
HBA
2
HBD
132.8
PSA (Ų)
0.19
QED
3
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H35ClF2N10OS
MW 693.23
Aromatic Rings 5
Heavy Atoms 48
NP-Likeness -1.08

Literature References

PubMed DOI Target Context # Activities
35447031 10.1021/acs.jmedchem.2c00063 Tyrosine-protein phosphatase non-receptor type 11 1
35447031 10.1021/acs.jmedchem.2c00063 CDK4/Cyclin D3 1

Data from ChEMBL 36 via Core Engine