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Compound Detail

CHEMBL1187340

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NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)c2ccc(Cl)cc2)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1187340
Phase Preclinical
Structure Type MOL
InChI Key JKBGYSXWLHTGBA-PXJZQJOASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

572.1
MW (Da)
4.32
ALogP
4
HBA
4
HBD
120.3
PSA (Ų)
0.21
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H34ClN5O3
MW 572.11
Aromatic Rings 4
Heavy Atoms 41
NP-Likeness -0.58

Data from ChEMBL 36 via Core Engine