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Compound Detail

CHEMBL4435975

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Cc1c(NC(=O)c2cc(CN3CCN(C)CC3)cn3c(C)nnc23)cccc1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4435975
Phase Preclinical
Structure Type MOL
InChI Key UZKILJRFQZXRLD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

454.6
MW (Da)
4.01
ALogP
6
HBA
1
HBD
65.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H30N6O
MW 454.58
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.40

Literature References

PubMed DOI Target Context # Activities
30964291 10.1021/acs.jmedchem.9b00312 Programmed cell death protein 1/Programmed cell death 1 ligand 1 1

Data from ChEMBL 36 via Core Engine