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Compound Detail

CHEMBL1182813

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CC[C@@H](c1ccc(O)cc1)[C@H](CCCCn1cc(C(=O)O)cn1)c1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1182813
Phase Preclinical
Structure Type MOL
InChI Key KVJHFUKFDWJZRW-XZOQPEGZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

408.5
MW (Da)
5.14
ALogP
5
HBA
3
HBD
95.6
PSA (Ų)
0.40
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 C24H28N2O4
MW 408.50
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.43

Data from ChEMBL 36 via Core Engine