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Compound Detail

CHEMBL2220375

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CCCCNC(=O)[C@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCC)N1CCN(C(=O)N2CCN(C)CC2)[C@H](Cc2ccccc2)C1=O)C(C)C

Basic Information

ChEMBL ID CHEMBL2220375
Phase Preclinical
Structure Type MOL
InChI Key NGCGSAFHWCZMPV-LDVAZLSXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

739.1
MW (Da)
5.06
ALogP
6
HBA
3
HBD
125.5
PSA (Ų)
0.18
QED
2
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C42H70N6O5
MW 739.06
Aromatic Rings 1
Heavy Atoms 53
NP-Likeness 0.03

Data from ChEMBL 36 via Core Engine