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Compound Detail

CHEMBL299633

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CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](C)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL299633
Phase Preclinical
Structure Type BOTH
InChI Key GBCUJDRDVDJJEL-ASHRYJKQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

590.7
MW (Da)
-0.01
ALogP
8
HBA
7
HBD
217.2
PSA (Ų)
0.13
QED
2
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H46N6O7
MW 590.72
Aromatic Rings 1
Heavy Atoms 42
NP-Likeness 0.13

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80059-1 Unchecked 1
- 10.1016/S0960-894X(00)80059-1 Mus musculus 1

Data from ChEMBL 36 via Core Engine