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Compound Detail

CHEMBL3393771

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CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3393771
Phase Preclinical
Structure Type BOTH
InChI Key LKGBHDUKJUKYNW-YNAZAZDCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

644.8
MW (Da)
0.44
ALogP
7
HBA
8
HBD
232.8
PSA (Ų)
0.06
QED
2
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H52N8O6
MW 644.82
Aromatic Rings 1
Heavy Atoms 46
NP-Likeness 0.04

Literature References

PubMed DOI Target Context # Activities
25454794 10.1021/jm5015023 Cyclin-dependent kinase 4/cyclin D1 1
25454794 10.1021/jm5015023 CDK2/Cyclin A2 1

Data from ChEMBL 36 via Core Engine