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Compound Detail

CHEMBL2079496

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CCCCNC(=O)[C@@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2079496
Phase Preclinical
Structure Type MOL
InChI Key PKDDUEWBUKTROQ-VCOUNFBDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

481.1
MW (Da)
3.03
ALogP
5
HBA
3
HBD
98.9
PSA (Ų)
0.42
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H41ClN4O3
MW 481.08
Aromatic Rings 1
Heavy Atoms 33
NP-Likeness -0.31

Data from ChEMBL 36 via Core Engine