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Compound Detail

CHEMBL5562749

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Cc1cc2nc(N[C@H]3CCCNC3)nc(-c3c[nH]c4c(P(C)(C)=O)cccc34)c2s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5562749
Phase Preclinical
Structure Type MOL
InChI Key JCLKCMQLQWRZNM-AWEZNQCLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

439.5
MW (Da)
4.56
ALogP
6
HBA
3
HBD
82.7
PSA (Ų)
0.41
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26N5OPS
MW 439.53
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.75

Literature References

PubMed DOI Target Context # Activities
38000213 10.1016/j.ejmech.2023.115955 CDK7/Cyclin H/MNAT1 1

Data from ChEMBL 36 via Core Engine