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Compound Detail

CHEMBL5936949

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CC[C@@H](C(N)=O)n1cc(-c2cc3c4c(c2)nc(-c2ccc5oc(N)nc5n2)n4CCCO3)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5936949
Phase Preclinical
Structure Type MOL
InChI Key SDALHIYQZPGNCI-INIZCTEOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

458.5
MW (Da)
2.90
ALogP
10
HBA
2
HBD
152.9
PSA (Ų)
0.41
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22N8O3
MW 458.48
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -0.92

Activity Summary

Ki 1 meas. best 10.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Ki 10.51 10.51 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 0.031 nM 10.51 TBD: TBD -

Data from ChEMBL 36 via Core Engine