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Compound Detail

CHEMBL2372183

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CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)C(N)=O)C(C)C)[C@@H](C)CC)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2372183
Phase Preclinical
Structure Type MOL
InChI Key NZCCZKFDPVAARN-OPXQPRFUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

982.1
MW (Da)
-1.49
ALogP
12
HBA
11
HBD
379.8
PSA (Ų)
0.02
QED
3
Ro5 Violations
26
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C46H71N13O11
MW 982.15
Aromatic Rings 2
Heavy Atoms 70
NP-Likeness 0.22

Literature References

PubMed DOI Target Context # Activities
2455051 10.1021/jm00402a028 Rattus norvegicus 2

Data from ChEMBL 36 via Core Engine