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Compound Detail

CHEMBL274655

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

Basic Information

ChEMBL ID CHEMBL274655
Phase Preclinical
Structure Type MOL
InChI Key NDRVGNAXHVEYNV-AWEZNQCLSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
5
Publications
0
Known Names

Molecular Properties

405.3
MW (Da)
1.95
ALogP
4
HBA
3
HBD
106.9
PSA (Ų)
0.46
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H22Cl2N2O5
MW 405.28
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.33

Pharmacokinetic Data

Parameter Value Units Species
T1/2 0.55 hr -

Literature References

PubMed DOI Target Context # Activities
8676345 10.1021/jm950671l Unchecked 2
8676345 10.1021/jm950671l ADMET 1
8676345 10.1021/jm950671l LoVo 1
18834112 10.1021/jm800656v Amine oxidase [flavin-containing] A 1
18834112 10.1021/jm800656v Amine oxidase [flavin-containing] B 1

Data from ChEMBL 36 via Core Engine