ID: ALA5187544

Max Phase: Preclinical

Molecular Formula: C55H76N12O10

Molecular Weight: 1065.29

Representations

Canonical SMILES:  CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(CC5CCN(C(=O)CCOCCOCCNc6cccc7c6C(=O)N(C6CCC(=O)N(C)C6=O)C7=O)CC5)CC4)CC3)c(OC)c2)nc1NC1CCOCC1

Standard InChI:  InChI=1S/C55H76N12O10/c1-4-41-51(58-37-16-28-75-29-17-37)61-52(49(60-41)50(56)70)59-38-8-9-43(45(34-38)74-3)65-22-14-39(15-23-65)64-26-24-63(25-27-64)35-36-12-20-66(21-13-36)47(69)18-30-76-32-33-77-31-19-57-42-7-5-6-40-48(42)55(73)67(53(40)71)44-10-11-46(68)62(2)54(44)72/h5-9,34,36-37,39,44,57H,4,10-33,35H2,1-3H3,(H2,56,70)(H2,58,59,61)

Standard InChI Key:  RMLFPNABXDYBDR-UHFFFAOYSA-N

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type:

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Properties

Molecular Weight: 1065.29

Molecular Weight (Monoisotopic): 1064.5807

AlogP:

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HBA:

HBD:

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HBA (Lipinski):

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CX Acidic pKa:

CX Basic pKa:

CX LogP:

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Np Likeness Score:

References

1. Ohoka N, Suzuki M, Uchida T, Tsuji G, Tsukumo Y, Yoshida M, Inoue T, Demizu Y, Ohki H, Naito M..  (2022)  Development of Gilteritinib-Based Chimeric Small Molecules that Potently Induce Degradation of FLT3-ITD Protein.,  13  (12.0): [PMID:36518702] [10.1021/acsmedchemlett.2c00402]

Source

Source(1):

• Scientific Literature